bluuebunny/crossref_metadata_2025 huggingface dataset:
Supersonic Aircraft—Promise and Problems
Authors: Morgan M. B.
Published: July 2016

The 1,157th lecture to be given before the Society, “Supersonic Aircraft—Promise and Problems” by M. B. Morgan, Esq., C.B., M.A., F.R.Ae.S., Scientific Adviser to the Air Ministry, was given on 17th March 1960, at the Institution of Mechanical Engineers. Mr. Peter G. Masefield, M.A., F.R.Ae.S., Hon.F.l.A.S., M.Inst.T., President of the Society, presided. Opening the meeting Mr. Masefield said he thought this would be one of the most interesting and stimulating lectures of the session. The subject of the supersonic aeroplane had been freely discussed in the United States and probably in Russia also. In this country they had been more reticent so he hoped they would have a really good discussion after this lecture. One significant point was that people no longer wondered whether a supersonic transport could, or should, be built but only whether it should cruise at a Mach number of 2 and be made in light alloy, or whether it should be around Mach 3 and be made of steel or more exotic materials. That sooner or later—and many believed sooner—transports would fly at supersonic speeds at 70,000 ft. was taken for granted.

Mr. Morgan was well known to them all. Born in Wales, he was educated at Rutlish, Merton and St. Catharine's College, Cambridge, where he took the Mechanical Sciences Tripos and won the John Bernard Seely Prize in Aeronautics in 1934. In fact, he and Mr. Morgan used to enjoy the Cam together and Mr. Morgan looked little different today than he had in those days. Mr. Morgan was apprenticed to Mather and Piatt Ltd. and also spent a short time at Vickers, Weybridge before joining the R.A.E., Farnborough in 1935. Since then he had specialised in aerodynamics, flight research and development, stability and control and, he had taken his Pilot's Licence in 1944. He was Head of the Aero Flight Section of the R.A.E. from 1946-1948, Head of the Guided Weapons Department from 1948-1953 and Deputy Director of the Establishment from 1954 until 1959. He had then been appointed to his present position of Scientific Adviser to the Air Ministry and had also been Chairman of what had come to be known as “STAC”–Supersonic Transport Aircraft Committee. He felt that they could have no better person than Mr. Morgan to talk on the Supersonic Transport.
Man Powered Flight in 1929
Authors: Lippisch Alexander M.
Published: July 2016

The Revival of interest in flight by man's own muscle power brings back to me some early attempts to solve this problem some 30 years ago.

Needless to say I was—and still am—sold on this idea ever since reading Lilienthal's famous book as a youngster in school. Then came the Wright Brothers and the early years of flying and the years of the First Great War at the end of which I found myself as an Aerodynamicist, designing wing sections and calculating induced drag according to Prandtl's newly discovered wing theory.

The end of the war found us meditating about gliding and the possibility of soaring flight. And so came the Rhoen, and the “Sturm und Drang” of the years on the Wasserkuppe.
Engineering Aspects in Man Powered Flight
Authors: Shenstone B. S.
Published: July 2016

There are three practical aspects to the problem of man powered flight: aerodynamics, physiology and engineering. There are many more impracticable aspects to man powered flight, including the philosophical, the fanatical and the sceptical, which unfortunately have not yet been included in the lectures of the Man Powered Aircraft Group but which will no doubt find their places.

The engineering aspects are fortunately fairly clearly defined, although there is likely to be a slight threat of interference with the aerodynamic problems.
Initial Strains in the Matrix Force Method of Structural Analysis
Authors: Argyris J. H. , Kelsey S.
Published: July 2016

In a Technical Note in the June Journal (p. 354), Dr. A. L. M. Grzedzielski discusses some aspects of the Matrix Force Method of Structural Analysis and in particular has raised objections to the concept of initial strains and its use by the present writers as an artifice in the treatment of cut-outs and modifications in structures. Dr. Grzedzielski asserts that the idea of initial strains is not valid if the flexibility matrix of the unassembled structural elements is other than purely diagonal. Unfortunately this assertion is just not true.
Combustion Performance Characteristics of a Laboratory Subsonic Ram-Jet
Authors: Povinelli Louis A.
Published: July 2016

Hilton has described a relatively inexpensive subsonic ram-jet installation which may be used as an aid to technical education. This type of equipment should serve to enable students to undertake performance studies of propulsion systems. To this end, this author would like to elaborate on one of the testing phases suggested by Hilton, that is, the tests on combustion systems with direct coupling to the air supply. It is the purpose of these remarks to present some previous observations on the combustion characteristics of a subsonic ram-jet which will serve as a useful demonstration as well as to provide areas of interest for academic investigations.
Some Experiments on the Reattachment of a Laminar Boundary Layer Separating From a Rearward Facing Step on a Flat Plate Aerofoil
Authors: Moore T. W. F.
Published: July 2016

The results of experiments on the reattachment of a laminar boundary layer, separating from a rearward facing step in a flat plate aerofoil, are correlated with the properties of the short leading edge bubble which forms on thin aerofoils near the stall.

The experiments, comprising pressure measurements, Pitot explorations, liquid film and smoke studies, indicate that for all Reynolds numbers above the value given by the Owen-KIanfer criterion the reattachment is turbulent behind a stationary air reverse flow vortex bubble. It is also found that the reattachment is laminar for Reynolds numbers below the critical, which further supports Crabtree's interpretation of the Owen-KIanfer criterion in terms of the condition for the growth of turbulent bursts.
The Hydro Biplane, Windermere, 1912
Authors: Brassard Herbert à
Published: July 2016

While staying at the “Old England Hotel” Bowness-on-Windermere at the end of May in 1912 one heard and then saw what was loosely called an aeroplane flying over the Lake. It is of some “historic” interest that the car which brought us to Bowness was a 45 h.p. six cylinder Napier San Giorgio model. The Hydro Biplane was garaged in rather untidy looking wooden sheds only some 100 yards from the Hotel and I have a clear recollection of the following facts. The photographs (Figs. 1 and 2) show it to be a single-engined pusher propeller biplane on one central float. It always flew at a height of about 100 yards at around 50-60 m.p.h. A little speedier “ downhill.” Taking off speed was about 50 m.p.h. The pilot (see Fig. 2), I never knew his name, flew two or three times a day in suitable weather garbed like the present day motor cyclist but without crash helmet.
Helicopter Vibrations
Authors: Jones J. P.
Published: July 2016

I should like in this paper to review some of the work on helicopter vibrations which has been done at Southampton University in the past few years. This has been mainly concerned with blade vibration and there have been parallel theoretical and experimental programmes. Complimentary research has been going on in the United States and the results support each other in an encouraging way.
An Extension of Bennett’s Formula for the Profile-Drag Power of Helicopter Rotors
Authors: Wittenberg H.
Published: July 2016

In ref. 1 Bennett derived the well-known expression for the power required to overcome the profile drag of the rotor blades for a helicopter in forward flight:

The power given by (1) is composed of two parts: the contribution of the torque of the profile drag with respect to the rotor axis and that of the drag of the rotor blades due to the forward motion (H-force).

Several methods for performance calculation of helicopters require the two parts of the profile-drag power separately, as they make use of the equation for the equilibrium of forces in the direction of flight, to which the rotor drag gives a contribution. In this note expressions for the two parts of the total profile-drag power are derived using the same method as indicated in the original work of Bennett. Numerical results are given.
Deformation Equations for Non-Circular Cylinders
Authors: Houghton D. S. , Johns D. J.
Published: July 2016

As far as is known, no explicit solution exists in the literature for the displacement equations in u, v and w, for a uniform cylinder of arbitrary cross section subjected to a lateral pressure loading. However, the advent of Ref. 1 now makes available an admirable treatise devoted entirely to the analysis of thin elastic shells. The equations developed in this reference apply only to linear problems, i.e. the displacements are assumed to be small in comparison with the thickness of the shell, but they are general enough to include all shells of arbitrary curvature. Unfortunately the generality of these equations inhibits their immediate use to cylindrical shell problems, and it is the purpose of this note to present the essential features of the theory for non-circular cylinders.
Deutsch oder Mathe?
Authors: Zander Lysann , Wolter Ilka
Published: July 2016

Zusammenfassung. In dieser Studie überprüften wir anhand der Daten von 1039 Neuntklässler/inne/n die Annahme, dass Aspirationen nach guten Leistungen in Deutsch und Mathematik in unterschiedlichem Maße von der geschlechtsmäßigen Klassenkomposition bestimmt sind – je nachdem, welche Bedeutsamkeit die Jugendlichen ihrem Geschlecht beimessen. Auf visuellen Skalen gaben die Jugendlichen an, welche Zentralität sie ihrem Geschlecht in der Selbstbeschreibung einräumen und in welchem Ausmaß sie gute Leistungen eher in Mathematik (männlich-konnotiert) oder Deutsch (weiblich-konnotiert) anstreben. Für Jugendliche mit hoher Geschlechtszentralität zeigten sich keine kontextuellen Einflüsse. Für Jugendliche mit niedriger Geschlechtszentralität zeigte sich, dass Mädchen in Minoritätssituationen, Jungen aber in Majoritätssituationen stereotypere Aspirationen berichteten. Zudem waren Aspirationen von Jungen und Mädchen in mädchendominierten Klassen flexibler: hier waren die Jugendlichen gleichermaßen bemüht in Deutsch bzw. Mathematik gute Leistungen zu zeigen. Diskutiert werden sozial-kognitive und normentheoretische Erklärungsansätze sowie Implikationen für die pädagogische Praxis.
Verhaltensauffälligkeiten bei Kindern mit Entwicklungsdefiziten im Vorschulalter
Authors: Ulrich Franziska , Petermann Franz , Petermann Ulrike , Gust Nicole
Published: July 2016

Zusammenfassung. Es wurde der Zusammenhang zwischen Verhaltens- und Entwicklungsauffälligkeiten untersucht. An der Studie nahmen 201 Kinder im Alter zwischen 36 und 72 Monaten teil. Pädagogische Fachkräfte beurteilten grundlegende Fertigkeiten mit Hilfe der Entwicklungsbeobachtung und -dokumentation (EBD) und das Problemverhalten mit dem Strengths and Difficulties Questionnaire (SDQ). Mittels binär logistischer Regressionen wurde analysiert, ob das Ausmaß an Entwicklungsdefiziten eines Kindes das Risiko für Verhaltensauffälligkeiten erhöht und welche konkreten Entwicklungsdefizite das Vorliegen von Verhaltensauffälligkeiten vorhersagen. 41 von 96 Kindern mit Entwicklungsdefiziten in mindestens einem oder mehreren EBD-Bereichen wiesen nach dem Urteil der pädagogischen Fachkräfte auch ein erhöhtes Risiko für Verhaltensauffälligkeiten auf. Als bedeutsame Prädiktoren haben sich das Alter und das Ausmaß an Entwicklungsdefiziten erwiesen, wobei insbesondere Defizite in den sozialen und emotionalen Fertigkeiten mit einem erhöhten Risiko für Verhaltensauffälligkeiten assoziiert waren. Die Befunde verdeutlichen, dass der Entwicklungsdiagnostik und –förderung ein hoher Stellenwert in der Prävention von Verhaltensauffälligkeiten zukommt.
Mechanistic insights into chemical and photochemical transformations of bismuth vanadate photoanodes
Authors: Toma Francesca M. , Cooper Jason K. , Kunzelmann Viktoria , McDowell Matthew T. , Yu Jie , Larson David M. , Borys Nicholas J. , Abelyan Christine , Beeman Jeffrey W. , Yu Kin Man , Yang Jinhui , Chen Le , Shaner Matthew R. , Spurgeon Joshua , Houle Frances A. , Persson Kristin A. , Sharp Ian D.
Published: July 2016

Artificial photosynthesis relies on the availability of semiconductors that are chemically stable and can efficiently capture solar energy. Although metal oxide semiconductors have been investigated for their promise to resist oxidative attack, materials in this class can suffer from chemical and photochemical instability. Here we present a methodology for evaluating corrosion mechanisms and apply it to bismuth vanadate, a state-of-the-art photoanode. Analysis of changing morphology and composition under solar water splitting conditions reveals chemical instabilities that are not predicted from thermodynamic considerations of stable solid oxide phases, as represented by the Pourbaix diagram for the system. Computational modelling indicates that photoexcited charge carriers accumulated at the surface destabilize the lattice, and that self-passivation by formation of a chemically stable surface phase is kinetically hindered. Although chemical stability of metal oxides cannot be assumed, insight into corrosion mechanisms aids development of protection strategies and discovery of semiconductors with improved stability.
Bacterial partition complexes segregate within the volume of the nucleoid
Authors: Le Gall Antoine , Cattoni Diego I. , Guilhas Baptiste , Mathieu-Demazière Céline , Oudjedi Laura , Fiche Jean-Bernard , Rech Jérôme , Abrahamsson Sara , Murray Heath , Bouet Jean-Yves , Nollmann Marcelo
Published: July 2016

Precise and rapid DNA segregation is required for proper inheritance of genetic material. In most bacteria and archaea, this process is assured by a broadly conserved mitotic-like apparatus in which a NTPase (ParA) displaces the partition complex. Competing observations and models imply starkly different 3D localization patterns of the components of the partition machinery during segregation. Here we use super-resolution microscopies to localize in 3D each component of the segregation apparatus with respect to the bacterial chromosome. We show that Par proteins locate within the nucleoid volume and reveal that proper volumetric localization and segregation of partition complexes requires ATPase and DNA-binding activities of ParA. Finally, we find that the localization patterns of the different components of the partition system highly correlate with dense chromosomal regions. We propose a new mechanism in which the nucleoid provides a scaffold to guide the proper segregation of partition complexes.
Characterization of photosynthetic gas exchange in leaves under simulated adaxial and abaxial surfaces alternant irradiation
Authors: Zhang Zi-Shan , Li Yu-Ting , Gao Hui-Yuan , Yang Cheng , Meng Qing-Wei
Published: July 2016

Previous investigations on photosynthesis have been performed on leaves irradiated from the adaxial surface. However, leaves usually sway because of wind. This action results in the alternating exposure of both the adaxial and abaxial surfaces to bright sunlight. To simulate adaxial and abaxial surfaces alternant irradiation (ad-ab-alt irradiation), the adaxial or abaxial surface of leaves were exposed to light regimes that fluctuated between 100 and 1,000 μmol m−2 s−1. Compared with constant adaxial irradiation, simulated ad-ab-alt irradiation suppressed net photosynthetic rate (Pn) and transpiration (E) but not water use efficiency. These suppressions were aggravated by an increase in alternant frequency of the light intensity. When leaves were transferred from constant light to simulated ad-ab-alt irradiation, the maximum Pn and E during the high light period decreased, but the rate of photosynthetic induction during this period remained constant. The sensitivity of photosynthetic gas exchange to simulated ad-ab-alt irradiation was lower on abaxial surface than adaxial surface. Under simulated ad-ab-alt irradiation, higher Pn and E were measured on abaxial surface compared with adaxial surface. Therefore, bifacial leaves can fix more carbon than leaves with two “sun-leaf-like” surfaces under ad-ab-alt irradiation. Photosynthetic research should be conducted under dynamic conditions that better mimic nature.
Gate dependence of upper critical field in superconducting (110) LaAlO3/SrTiO3 interface
Authors: Shen S. C. , Chen B. B. , Xue H. X. , Cao G. , Li C. J. , Wang X. X. , Hong Y. P. , Guo G. P. , Dou R. F. , Xiong C. M. , He L. , Nie J. C.
Published: July 2016

The fundamental parameters of the superconducting state such as coherence length and pairing strength are essential for understanding the nature of superconductivity. These parameters can be estimated by measuring critical parameters such as upper critical field, Hc2. In this work, Hc2 of a superconducting (110) LaAlO3/SrTiO3 interface is determined through magnetoresistive measurements as a function of the gate voltage, VG. When VG increases, the critical temperature has a dome-like shape, while Hc2 monotonically decreases. This relationship of independence between the variation of Tc and of Hc2 suggests that the Cooper pairing potential is stronger in the underdoped region and the coherence length increases with the increase of VG. The result is as for high temperature superconducting cuprates and it is different than for conventional low temperature superconductors.
Simultaneous SPECT imaging of multi-targets to assist in identifying hepatic lesions
Authors: Guo Zhide , Gao Mengna , Zhang Deliang , Li Yesen , Song Manli , Zhuang Rongqiang , Su Xinhui , Chen Guibing , Liu Ting , Liu Pingguo , Wu Hua , Du Jin , Zhang Xianzhong
Published: July 2016

Molecular imaging technique is an attractive tool to detect liver disease at early stage. This study aims to develop a simultaneous dual-isotope single photon emission computed tomography (SPECT)/CT imaging method to assist diagnosis of hepatic tumor and liver fibrosis. Animal models of liver fibrosis and orthotopic human hepatocellular carcinoma (HCC) were established. The tracers of131I-NGA and99mTc-3P-RGD2were selected to target asialoglycoprotein receptor (ASGPR) on the hepatocytes and integrin αvβ3receptor in tumor or fibrotic liver, respectively. SPECT imaging and biodistribution study were carried out to verify the feasibility and superiority. As expected,99mTc-3P-RGD2had the ability to evaluate liver fibrosis and detect tumor lesions.131I-NGA showed that it was effective in assessing the anatomy and function of the liver. In synchronized dual-isotope SPECT/CT imaging, clear fusion images can be got within 30 minutes for diagnosing liver fibrosis and liver cancer. This new developed imaging approach enables the acquisition of different physiological information for diagnosing liver fibrosis, liver cancer and evaluating residual functional liver volume simultaneously. So synchronized dual-isotope SPECT/CT imaging with99mTc-3P-RGD2and131I-NGA is an effective approach to detect liver disease, especially liver fibrosis and liver cancer.
Silica-coated magnetic nanoparticles impair proteasome activity and increase the formation of cytoplasmic inclusion bodies in vitro
Authors: Phukan Geetika , Shin Tae Hwan , Shim Jeom Soon , Paik Man Jeong , Lee Jin-Kyu , Choi Sangdun , Kim Yong Man , Kang Seong Ho , Kim Hyung Sik , Kang Yup , Lee Soo Hwan , Mouradian M. Maral , Lee Gwang
Published: July 2016

The potential toxicity of nanoparticles, particularly to neurons, is a major concern. In this study, we assessed the cytotoxicity of silica-coated magnetic nanoparticles containing rhodamine B isothiocyanate dye (MNPs@SiO2(RITC)) in HEK293 cells, SH-SY5Y cells, and rat primary cortical and dopaminergic neurons. In cells treated with 1.0 μg/μl MNPs@SiO2(RITC), the expression of several genes related to the proteasome pathway was altered, and proteasome activity was significantly reduced, compared with control and with 0.1 μg/μl MNPs@SiO2(RITC)-treated cells. Due to the reduction of proteasome activity, formation of cytoplasmic inclusions increased significantly in HEK293 cells over-expressing the α–synuclein interacting protein synphilin-1 as well as in primary cortical and dopaminergic neurons. Primary neurons, particularly dopaminergic neurons, were more vulnerable to MNPs@SiO2(RITC) than SH-SY5Y cells. Cellular polyamines, which are associated with protein aggregation, were significantly altered in SH-SY5Y cells treated with MNPs@SiO2(RITC). These findings highlight the mechanisms of neurotoxicity incurred by nanoparticles.
Novel stereoselective bufadienolides reveal new insights into the requirements for Na+, K+-ATPase inhibition by cardiotonic steroids
Authors: Tang Hong-Jin , Ruan Li-Jun , Tian Hai-Yan , Liang Guang-Ping , Ye Wen-Cai , Hughes Eleri , Esmann Mikael , Fedosova Natalya U. , Chung Tse-Yu , Tzen Jason T. C. , Jiang Ren-Wang , Middleton David A.
Published: July 2016

Cardiotonic steroids (CTS) are clinically important drugs for the treatment of heart failure owing to their potent inhibition of cardiac Na+, K+-ATPase (NKA). Bufadienolides constitute one of the two major classes of CTS, but little is known about how they interact with NKA. We report a remarkable stereoselectivity of NKA inhibition by native 3β-hydroxy bufalin over the 3α-isomer, yet replacing the 3β-hydroxy group with larger polar groups in the same configuration enhances inhibitory potency. Binding of the two 13C-labelled glycosyl diastereomers to NKA were studied by solid-state NMR (SSNMR), which revealed interactions of the glucose group of the 3β- derivative with the inhibitory site, but much weaker interactions of the 3α- derivative with the enzyme. Molecular docking simulations suggest that the polar 3β-groups are closer to the hydrophilic amino acid residues in the entrance of the ligand-binding pocket than those with α-configuration. These first insights into the stereoselective inhibition of NKA by bufadienolides highlight the important role of the hydrophilic moieties at C3 for binding, and may explain why only 3β-hydroxylated bufadienolides are present as a toxic chemical defence in toad venom.
Mitotic genes are transcriptionally upregulated in the fibroblast irradiated with very low doses of UV-C
Authors: Takeuchi Seiji , Matsuda Toshiro , Ono Ryusuke , Tsujimoto Mariko , Nishigori Chikako
Published: July 2016

Ultraviolet (UV) radiation induces a variety of biological effects, including DNA damage response and cell signaling pathways. We performed transcriptome analysis using microarray in human primary cultured fibroblasts irradiated with UV-C (0.5 or 5 J/m2) and harvested at 4 or 12 h following UV exposure. All transcript data were analyzed by comparison with the corresponding results in non-irradiated (control) cells. The number of genes with significantly altered expression (≥2-fold difference relative to the control) is higher in the sample irradiated with high dose of UV, suggesting that gene expression was UV dose-dependent. Pathway analysis on the upregulated genes at 12 h indicates that the expression of some cell cycle-related genes was predominantly induced irrespective of UV-dose. Interestingly, almost all the genes with significant altered expression were cell cycle-related genes designated as ‘Mitotic Genes’, which function in the spindle assembly checkpoint. Therefore, even a low dose of UV could affect the transcriptional profile.
A highly diverse, desert-like microbial biocenosis on solar panels in a Mediterranean city
Authors: Dorado-Morales Pedro , Vilanova Cristina , Peretó Juli , Codoñer Francisco M. , Ramón Daniel , Porcar Manuel
Published: July 2016

Microorganisms colonize a wide range of natural and artificial environments although there are hardly any data on the microbial ecology of one the most widespread man-made extreme structures: solar panels. Here we show that solar panels in a Mediterranean city (Valencia, Spain) harbor a highly diverse microbial community with more than 500 different species per panel, most of which belong to drought-, heat- and radiation-adapted bacterial genera, and sun-irradiation adapted epiphytic fungi. The taxonomic and functional profiles of this microbial community and the characterization of selected culturable bacteria reveal the existence of a diverse mesophilic microbial community on the panels’ surface. This biocenosis proved to be more similar to the ones inhabiting deserts than to any human or urban microbial ecosystem. This unique microbial community shows different day/night proteomic profiles; it is dominated by reddish pigment- and sphingolipid-producers, and is adapted to withstand circadian cycles of high temperatures, desiccation and solar radiation.
The Efficacy and Cost-Effectiveness of Stepped Care Prevention and Treatment for Depressive and/or Anxiety Disorders: A Systematic Review and Meta-Analysis
Authors: Ho Fiona Yan-Yee , Yeung Wing-Fai , Ng Tommy Ho-Yee , Chan Christian S.
Published: July 2016

Stepped care is an increasingly popular treatment model for common mental health disorders, given the large discrepancy between the demand and supply of healthcare service available. In this review, we aim to compare the efficacy and cost-effectiveness of stepped care prevention and treatment with care-as-usual (CAU) or waiting-list control for depressive and/or anxiety disorders. 5 databases were utilized from its earliest available records up until April 2015. 10 randomized controlled trials were included in this review, of which 6 examined stepped care prevention and 4 examined stepped care treatment, specifically including ones regarding depressive and/or anxiety disorders. Only trials with self-help as a treatment component were included. Results showed stepped care treatment revealed a significantly better performance than CAU in reducing anxiety symptoms and the treatment response rate of anxiety disorders was significantly higher in stepped care treatment than in CAU. No significant difference was found between stepped care prevention/treatment and CAU in preventing anxiety and/or depressive disorders and improving depressive symptoms. In conclusion, stepped care model appeared to be better than CAU in treating anxiety disorders. The model has the potential to reduce the burden on existing resources in mental health and increase the reach and availability of service.
Unraveling low-resolution structural data of large biomolecules by constructing atomic models with experiment-targeted parallel cascade selection simulations
Authors: Peng Junhui , Zhang Zhiyong
Published: July 2016

Various low-resolution experimental techniques have gained more and more popularity in obtaining structural information of large biomolecules. In order to interpret the low-resolution structural data properly, one may need to construct an atomic model of the biomolecule by fitting the data using computer simulations. Here we develop, to our knowledge, a new computational tool for such integrative modeling by taking the advantage of an efficient sampling technique called parallel cascade selection (PaCS) simulation. For given low-resolution structural data, this PaCS-Fit method converts it into a scoring function. After an initial simulation starting from a known structure of the biomolecule, the scoring function is used to pick conformations for next cycle of multiple independent simulations. By this iterative screening-after-sampling strategy, the biomolecule may be driven towards a conformation that fits well with the low-resolution data. Our method has been validated using three proteins with small-angle X-ray scattering data and two proteins with electron microscopy data. In all benchmark tests, high-quality atomic models, with generally 1–3 Å from the target structures, are obtained. Since our tool does not need to add any biasing potential in the simulations to deform the structure, any type of low-resolution data can be implemented conveniently.
RIP3 induces ischemic neuronal DNA degradation and programmed necrosis in rat via AIF
Authors: Xu Yang , Wang Jingye , Song Xinghui , Qu Lindi , Wei Ruili , He Fangping , Wang Kai , Luo Benyan
Published: July 2016

We have reported that nuclear translocation of Receptor-interacting protein 3 (RIP3) involves in neuronal programmed necrosis after 20-min global cerebral ischemia/reperfusion (I/R) injury. Herein, the underlying mechanisms and the nuclear role of RIP3 were investigated further. The necroptosis inhibitor necrostatin-1 (Nec-1), the autophagy inhibitor 3-methyladenine (3-MA) and the caspase-3 inhibitor acetyl-L-aspartyl-L-methionyl-L-glutaminyl-L-aspart-1-al (Ac-DMQD-CHO) were administered intracerebroventricularly 1 h before ischemia. Protein expression, location and interaction was determined by western blot, immunofluorescence or immunoprecipitation. Most CA1 neuronal death induced by 20-min global cerebral I/R injury was TUNEL-positive. Neuronal death and rat mortality rates were greatly inhibited by Nec-1 and 3-MA pre-treatment, but not by Ac-DMQD-CHO. And no activation of caspase-3 was detected after I/R injury. Caspase-8 was expressed richly in GFAP-positive astrocytes and Iba-1-positive microglia, but was not detected in Neun-positive neurons. The nuclear translocation and co-localization of RIP3 and AIF and their interaction were detected after I/R injury. These processes were inhibited by Nec-1 and 3-MA pre-treatment, but not by Ac-DMQD-CHO. The formation of an RIP3-AIF complex and its nuclear translocation are critical to ischemic neuronal DNA degradation and programmed necrosis. Neurons are more likely to enter the programmed necrosis signal pathway for the loss of caspase-8 suppression.
Self-Assembly of Amphiphilic Dendrimers: The Role of Generation and Alkyl Chain Length in siRNA Interaction
Authors: Márquez-Miranda Valeria , Araya-Durán Ingrid , Camarada María Belén , Comer Jeffrey , Valencia-Gallegos Jesús A. , González-Nilo Fernando Danilo
Published: July 2016

An ideal nucleic-acid transfection system should combine the physical and chemical characteristics of cationic lipids and linear polymers to decrease cytotoxicity and uptake limitations. Previous research described new types of carriers termed amphiphilic dendrimers (ADs), which are based on polyamidoamine dendrimers (PAMAM). These ADs display the cell membrane affinity advantage of lipids and preserve the high affinity for DNA possessed by cationic dendrimers. These lipid/dendrimer hybrids consist of a low-generation, hydrophilic dendron (G2, G1, or G0) bonded to a hydrophobic tail. The G2-18C AD was reported to be an efficient siRNA vector with significant gene silencing. However, shorter tail ADs (G2-15C and G2-13C) and lower generation (G0 and G1) dendrimers failed as transfection carriers. To date, the self-assembly phenomenon of this class of amphiphilic dendrimers has not been molecularly explored using molecular simulation methods. To gain insight into these systems, the present study used coarse-grained molecular dynamics simulations to describe how ADs are able to self-assemble into an aggregate, and, specifically, how tail length and generation play a key role in this event. Finally, explanations are given for the better efficiency of G2/18-C as gene carrier in terms of binding of siRNA. This knowledge could be relevant for the design of novel, safer ADs with well-optimized affinity for siRNA.
Conditional ablation of TGF-β signaling inhibits tumor progression and invasion in an induced mouse bladder cancer model
Authors: Liang Yu , Zhu Fengyu , Zhang Haojie , Chen Demeng , Zhang Xiuhong , Gao Qian , Li Yang
Published: July 2016

The role of transforming growth factor-β (TGF-β) signaling in cancer progression is still under debate. To determine the function of TGF-β signaling in bladder cancer progression, we conditionally knocked out the Tgfbr2 in mouse model after a N-butyl-N-4-hydroxybutyl Nitrosamine induced bladder carcinogenesis. We found the ablation of TGF-β signaling could inhibit the cancer cell proliferation, cancer stem cell population and EMT, hence suppressed the invasive cancer progression, which is similar with the result of TGF-β receptor I inhibitor treatment. These findings recognize the roles and mechanisms of TGF-β signaling in bladder cancer progression in vivo for the first time.
Investigation of a rapid and sensitive non-aqueous reaction system for the determination of acrylamide in processed foods by gas chromatography-mass spectrometry
Authors: Luo Lan , Ren Yan , Liu Jie , Wen Xiaodong
Published: July 2016

Dimethyl sulfoxide (DMSO) was used to extract and pre-concentrate acrylamide (AA) from food samples before derivatization with xanthydrol. Concentrated AA in DMSO reacted with xanthydrol in 1 min at 40 °C under mild conditions before GC-MS determination.
Novel liquid chromatography-mass spectrometry for metabolite biomarkers of acute lung injury disease
Authors: Liang Qun , Liu Han , Jiang Yan , Zhang Tianyu , Zhang Ai-hua
Published: July 2016

Sepsis-induced acute lung injury (ALI) remains a leading cause of death in intensive care units.
Rapid screening of agrochemicals by paper spray ionization and leaf spray mass spectrometry: which technique is more appropriate?
Authors: Pereira Igor , Rodrigues Stéfany R. M. , de Carvalho Thays C. , Carvalho Verônica V. , Lobón Germán S. , Bassane João F. P. , Domingos Eloilson , Romão Wanderson , Augusti Rodinei , Vaz Boniek G.
Published: July 2016

Paper Spray Ionization and Leaf Spray were compared by detection and quantification of agrochemicals.
Fingerprinting of falsified artemisinin combination therapies via direct analysis in real time coupled to a compact single quadrupole mass spectrometer
Authors: Bernier Matthew C. , Li Frederick , Musselman Brian , Newton Paul N. , Fernández Facundo M.
Published: July 2016

Using portable single-quadrupole DART-MS technology, suspect pharmaceuticals can be rapidly and efficiently analyzed providing detailed information on their true origin.
Vacuum synthesis of magnetic aluminum phthalocyanine on Au(111)
Authors: Hong I-Po , Li Na , Zhang Ya-Jie , Wang Hao , Song Huan-Jun , Bai Mei-Lin , Zhou Xiong , Li Jian-Long , Gu Gao-Chen , Zhang Xue , Chen Min , Gottfried J. Michael , Wang Dong , Lü Jing-Tao , Peng Lian-Mao , Hou Shi-Min , Berndt Richard , Wu Kai , Wang Yong-Feng
Published: July 2016

Air-unstable magnetic aluminum phthalocyanine molecules were prepared in vacuum.
Visible-light-driven selective oxidation of benzyl alcohol and thioanisole by molecular ruthenium catalyst modified hematite
Authors: Bai Lichen , Li Fei , Wang Yong , Li Hua , Jiang Xiaojuan , Sun Licheng
Published: July 2016

Molecular ruthenium catalysts anchored to hematite efficiently catalyzed the oxidation of organic substrates in powder and PEC systems with high activity and selectivity.
Effects of chemical substitution on the structural and optical properties of α-Ag2−2xNixWO4(0 ≤ x ≤ 0.08) solid solutions
Authors: Pereira Wyllamanney da Silva , Ferrer Mateus Meneghetti , Botelho Gleice , Gracia Lourdes , Nogueira Içamira Costa , Pinatti Ivo Mateus , Rosa Ieda Lúcia Viana , La Porta Felipe de Almeida , Andrés Juan , Longo Elson
Published: July 2016

In this work, we investigated the effects of chemical substitution of α-Ag2−2xNixWO4(0 ≤x≤ 0.08) solid solutions prepared by a facile microwave-assisted hydrothermal method.
Solvent effects on static polarizability, static first hyperpolarizability and one- and two-photon absorption properties of functionalized triply twisted Möbius annulenes: a DFT study
Authors: Alam Md Mehboob , Kundi Varun , Thankachan Pompozhi Protasis
Published: July 2016

Solvent effects on the polarizability (α), static first hyperpolarizability (β) and one- and two-photon absorption (OPA and TPA) properties of triply twisted Möbius annulenes.
Structural characteristics of hydrated protons in the conductive channels: effects of confinement and fluorination studied by molecular dynamics simulation
Authors: Zhang Ning , Song Yuechun , Ruan Xuehua , Yan Xiaoming , Liu Zhao , Shen Zhuanglin , Wu Xuemei , He Gaohong
Published: July 2016

Fluorination and confinement have a cooperative effect on the hydrogen bonding structure of protons and water in nanochannels.
Photoinduced electron transfer from quantum dots to TiO2: elucidating the involvement of excitonic and surface states
Authors: Chauhan Saurabh , Watson David F.
Published: July 2016

CdSe QDs transfer electrons from band-edge and surface states to TiO2; core/shell CdSe/ZnS QDs transfer electrons exclusively from band-edge states.
Half-sandwich RuCl2(η6-p-cymene) core complexes containing sulfur donor aroylthiourea ligands: DNA and protein binding, DNA cleavage and cytotoxic studies
Authors: Jeyalakshmi Kumaramangalam , Haribabu Jebiti , Bhuvanesh Nattamai S. P. , Karvembu Ramasamy
Published: July 2016

Ru(ii)(η6-p-cymene) complexes containing sulfur donor monodentate aroylthiourea ligands have been synthesized for exploring their biological applications.
Ligand dependent topology and spontaneous resolution in high-spin cyano-bridged Ni3W2 clusters
Authors: Nowicka Beata , Reczyński Mateusz , Rams Michał , Wasiutyński Tadeusz , Nitek Wojciech , Sieklucka Barbara
Published: July 2016

The pentanuclear high-spin Ni3W2 clusters of trigonal bipyramidal topology are chiral molecules obtained from achiral building blocks.
Osmium(ii) complexes for light-driven aerobic oxidation of amines to imines
Authors: Li Yong-Hui , Liu Xiao-Le , Yu Zhen-Tao , Li Zhao-Sheng , Yan Shi-Cheng , Chen Guang-Hui , Zou Zhi-Gang
Published: July 2016

We have investigated new photocatalytic systems for imine formation under mild reaction conditions using three triazole-based Os(ii) complexes as potential photocatalysts.
Synthesis and structure of the first discrete dinuclear cationic aluminum complexes
Authors: Wang Xingbao , Dorcet Vincent , Luo Yi , Carpentier Jean-Francois , Kirillov Evgueni
Published: July 2016

The preparation of discrete mono- and dicationic dinuclear aluminum complexes from the parent charge neutral dinuclear precursors has been studied. The first crystal structure of a dicationic dialuminum complex is reported.
Development of a biomimetic microfluidic oxygen transfer device
Authors: Gimbel A. A. , Flores E. , Koo A. , García-Cardeña G. , Borenstein J. T.
Published: July 2016

A microfluidic respiratory assist device is demonstrated, with blood gas transfer as a function of the size and number of transfer layers demonstrated, along with anti-coagulation and gas exchange properties of a confluent endothelial lining of the blood compartment.
Unfolding knots by proteasome-like systems: simulations of the behaviour of folded and neurotoxic proteins
Authors: Wojciechowski Michał , Gómez-Sicilia Àngel , Carrión-Vázquez Mariano , Cieplak Marek
Published: July 2016

Knots in proteins have been proposed to resist proteasomal degradation, thought in turn to be related to neurodegenerative diseases such as Huntington.
Discovering potential cancer driver genes by an integrated network-based approach
Authors: Shi Kai , Gao Lin , Wang Bingbo
Published: July 2016

An integrated network-based approach is proposed to nominate driver genes. It is composed of two steps including a network diffusion step and an aggregated ranking step, which fuses the correlation between the gene mutations and gene expression, the relationship between the mutated genes and the heterogeneous characteristic of the patient mutation.
Scope and limitations of two model prebiotic routes to tetrapyrrole macrocycles
Authors: Taniguchi Masahiko , Deans Richard M. , Chandrashaker Vanampally , Ptaszek Marcin , Lindsey Jonathan S.
Published: July 2016

Aqueous reaction (35 °C, 72 h) of two acyclic compounds, an α-aminoketone + β-ketoester or β-diketone (not shown), affords a pyrrole that self-condenses to give the porphyrinogen.
A rare γ-pyranopyrazole skeleton: design, one-pot synthesis and computational study
Authors: Üçüncü Muhammed , Cantürk Ceren , Karakuş Erman , Zeybek Hüseyin , Bozkaya Uğur , Soydaş Emine , Şahin Ertan , Emrullahoğlu Mustafa
Published: July 2016

A base mediated one-pot, two-step synthetic method for constructing γ-pyranopyrazoles.
Synthesis and antimicrobial activity of copper nanoparticle loaded regenerated bacterial cellulose membranes
Authors: Shao Wei , Wang Shuxia , Wu Jimin , Huang Min , Liu Hui , Min Huihua
Published: July 2016

A series of copper nanoparticle (CuNP) loaded regenerated bacterial cellulose (RC) membranes were fabricated.
High strain response in ternary Bi0.5Na0.5TiO3–BaTiO3–Bi(Mn0.5Ti0.5)O3solid solutions
Authors: Ullah Aman , Alam Mehtab , Ullah Amir , Ahn Chang Won , Lee Jae-Shin , Cho Shinuk , Kim Ill Won
Published: July 2016

In this study, a ternary solid solution (0.935 −x)BNT–0.065BT–xBi(Mn0.5Ti0.5)O3(BNT–BT–BMnT;x= 0–0.030) was designed and fabricated by means of a conventional fabrication process.
High-performance intrinsic low-k polymer via the synergistic effect of its three units: adamantyl, perfluorocyclobutylidene and benzocyclobutene
Authors: Kong Lingqiang , Qi Tianke , Ren Zhidong , Jin Yunxia , Li Yan , Cheng Yuanrong , Xiao Fei
Published: July 2016

Intrinsic highly cross-linked low-k benzocyclobutene polymer functionalized with adamantyl and perfluorocyclobutylidene.
Core–shell zeolite@Alg–Ca particles for removal of strontium from aqueous solutions
Authors: Zhang Yahui , Lin Xiaoyan , Hu Shuhong , Zhang Xing , Luo Xuegang
Published: July 2016

A core–shell zeolite@Alg–Ca adsorbent was synthesized by a simple method of coaxial electrospinning and applied for the removal of Sr(ii) ions from aqueous solution.
Ceratonia siliqua leaves exert a strong ROS-scavenging effect in human neutrophils, inhibit myeloperoxydase in vitro and protect against intestinal fluid and electrolytes secretion in rats
Authors: Rtibi Kaïs , Jabri Mohammed-Amine , Selmi Slimen , Sebai Hichem , Amri Mohamed , El-Benna Jamel , Marzouki Lamjed
Published: July 2016

Chronic inflammation and oxidative stress are induced by biological, chemical and physical factors which are, in turn, associated with an increased risk of several human diseases.
Comparative evaluation of enzyme-free nanoclay-ionic liquid based electrodes for detection of bioanalytes
Authors: Joshi Nidhi , Sharma Abhimanyu , Rawat Kamla , Asokan K. , Solanki P. R. , Lakshmi G. B. V. S. , Kanjilal D. , Bohidar H. B.
Published: July 2016

Enzyme-free electrodes were fabricated using mixed nanoclays and ionic liquids.
Electrochemical detection of ractopamine based on a molecularly imprinted poly-o-phenylenediamine/gold nanoparticle–ionic liquid–graphene film modified glass carbon electrode
Authors: Li Tengfei , Yao Ting , Zhang Chao , Liu Guangyang , She Yongxin , Jin Maojun , Jin Fen , Wang Shanshan , Shao Hua , Wang Jing
Published: July 2016

An electrochemical sensor for sensitive detection of ractopamine (RAC) was fabricated by using molecularly imprinted polymer (MIP) incorporation with graphene (GR), ionic liquid (IL) and gold nanoparticle (AuNPs) nanocomposites.
Structural transitions and electronic properties of sodium superoxide at high pressures
Authors: Deng Naihang , Yang Guochun , Wang Wenyong , Qiu Yongqing
Published: July 2016

The structures and electronic properties of sodium superoxide (NaO2) have been explored under high pressure. This study provides an opportunity for understanding the structures and electron properties of sodium superoxide at high pressures.
A facile strategy for synthesis of spinel ferrite nano-granules and their potential applications
Authors: Cao Derang , Pan Lining , Li Hao , Li Jianan , Wang Xicheng , Cheng Xiaohong , Wang Zhenkun , Wang Jianbo , Liu Qingfang
Published: July 2016

A number of spinel ferrite nano-granules were synthesized in DMF through a calcination process under air.
Poly[platinum(iv)-alt-PEI]/Akt1 shRNA complexes for enhanced anticancer therapy
Authors: Zhang Jia-Liang , Gong Jia-Hui , Xing Lei , Cui Peng-Fei , Qiao Jian-Bin , He Yu-Jing , Lyu Jin-Yuan , Che Shunai , jin Tuo , Jiang Hu-Lin
Published: July 2016

Co-delivery of Akt1 shRNA and platinum(iv) prodrug using DP/Akt1 shRNA complexes for synergetic cancer inhibition.
The use of a student group log to facilitate student and teacher learning
Authors: Coenders Fer
Published: July 2016

In 21st century education students should have ample opportunities to collaborate on authentic problems. Many teachers however find it difficult to make the transfer from teacher to student-centered education. Giving students autonomy can be disquieting to teachers, as they fear to lose control of student learning. Teachers in a teacher development team developed context-based student learning material on the topic ‘salts’. Self-regulating student cooperative groups would work autonomously during a number of weeks using this material. To monitor the “what and how” of these groups, a student group log was developed. In this log all the work the group performed in class had to be noted and during each lesson a number of questions to stimulate interaction and reflection had to be answered. This research describes how students and teachers used and perceived the group log during their cooperative journey when studying the material on ‘salts’. The results show that students were positive, and especially appreciated teachers' quick feedback. The log stimulated student interaction, guided the learning processes, and stimulated student reflection. To provide feedback, teachers needed between 3–5 minutes per log after each period, and stressed that this was well invested time as they could now monitor student progress.
The chemistry of ZnWO4 nanoparticle formation
Authors: Bøjesen Espen D. , Jensen Kirsten M. Ø. , Tyrsted Christoffer , Mamakhel Aref , Andersen Henrik L. , Reardon Hazel , Chevalier Jacques , Dippel Ann-Christin , Iversen Bo B.
Published: July 2016

The need for a new approach to describing nanoparticle nucleation and growth different from the classical models is highlighted. In and ex situ total scattering experiments combined with additional characterization techniques are used to unravel the chemistry dictating ZnWO4 formation.
Interaction of methanol with the oxygen-evolving complex: atomistic models, channel identification, species dependence, and mechanistic implications
Authors: Retegan Marius , Pantazis Dimitrios A.
Published: July 2016

Spectroscopy-oriented quantum chemical studies establish how methanol is delivered to the water-oxidizing active site of Photosystem II and how it interacts with the manganese cluster.
Structure and dynamics of concentration fluctuations in a non-equilibrium dense colloidal suspension
Authors: Giavazzi Fabio , Savorana Giovanni , Vailati Alberto , Cerbino Roberto
Published: July 2016

We study concentration fluctuations during diffusion of a dense colloidal suspension into water. We find two diffusion coefficients that depend on time and tend asymptotically to the same value for long times, when the concentration gradient vanishes.
Pressure induced thermoelectric enhancement in SnSe crystals
Authors: Zhang Yongsheng , Hao Shiqiang , Zhao Li-Dong , Wolverton C. , Zeng Z.
Published: July 2016

Pressure is used as an efficient method to intrinsically enhance the thermoelectric properties of SnSe due to the significant electrical transport boost. The estimated ZT values of p-type SnSe along the b and c directions can increase to as high as 2.5 and 1.7 at 6 GPa and 700 K, respectively.
Well-defined labile diselenide-centered poly(ε-caprolactone)-based micelles for activated intracellular drug release
Authors: Wei Chao , Zhang Yan , Xu Heng , Xu Ying , Xu Yue , Lang Meidong
Published: July 2016

Diselenide groups were introduced into aliphatic polyesters to develop a novel well-defined reduction-labile biodegradable diselenide-containing polymeric drug delivery system (mPEG–PCL–Se)2.
Vapour-assisted multi-functional perovskite thin films for solar cells and photodetectors
Authors: Wang Yukun , Yang Dezhi , Zhou Xiaokang , Alshehri Saad M. , Ahamad Tansir , Vadim Agafonov , Ma Dongge
Published: July 2016

High quality perovskite thin films were manufactured via a vapour-assisted process. High efficiency solar cells (PCE up to 12.2%) and high detectivity photodetectors (photodetectivity up to 3 × 1012 Jones) can be fabricated by using the perovskite layer and C60.