bluuebunny/crossref_metadata_2025 huggingface dataset:
NO sorption, in-crystal nitrite and nitrate production with arylamine oxidation in gas–solid single crystal to single crystal reactions
Authors: Møller Mads Sondrup , Haag Alexander , McKee Vickie , McKenzie Christine J.
Published: August 2019

Chemisorptive capture and in-crystal conversions of NO at dicobalt site SC–SC reactions.
Bifunctional supramolecular prodrug vesicles constructed from a camptothecin derivative with a water-soluble pillar[5]arene for cancer diagnosis and therapy
Authors: Sun Guangping , He Zhimei , Hao Min , Xu Zuqiang , Hu Xiao-Yu , Zhu Jun-Jie , Wang Leyong
Published: August 2019

Bifunctional supramolecular prodrug nanocarriers have been successfully constructed for efficient anticancer drug delivery and tumor diagnosis and therapy.
Mn(i)-Catalyzed nucleophilic addition/ring expansion via C–H activation and C–C cleavage
Authors: Liu Bingxian , Yuan Yin , Hu Panjie , Zheng Guangfan , Bai Dachang , Chang Junbiao , Li Xingwei
Published: August 2019

The Mn(i)-Catalyzed C–H alkenylation/carbonyl addition/retro-Aldol cascade was realized leading to the convenient synthesis of seven- or eight-membered carbocycles.
Rational magnetic modification of N,N-dioxidized pyrazine ring expanded adenine and thymine: a diradical character induced by base pairing and double protonation
Authors: Chen Dongxiao , Bu Yuxiang
Published: August 2019

A magnetic modification strategy and possible magnetic modulation methods for the adenine/thymine-based magnets are reported.
Resolving the chemical identity of H2SO4 derived anions on Pt(111) electrodes: they're sulfate
Authors: Zhang Igor Ying , Zwaschka Gregor , Wang Zhenhua , Wolf Martin , Campen R. Kramer , Tong Yujin
Published: August 2019

Vibrational sum frequency spectroscopy was employed to study the chemical nature of the sulfuric acid derived anions adsorbed on Pt(111) electrode in acidic solution. Sulfate rather than bisulfate was unambiguously identified.
Soft experimental constraints for soft interactions: a spectroscopic benchmark data set for weak and strong hydrogen bonds
Authors: Oswald Sönke , Suhm Martin A.
Published: August 2019

Experimental data for hydrogen-bonded complexes between a small set of test molecules are converted into a benchmark set for quantum chemistry predictions in the convenient harmonic approximation.
Towards a rational design of laser-coolable molecules: insights from equation-of-motion coupled-cluster calculations
Authors: Ivanov Maxim V. , Bangerter Felix H. , Krylov Anna I.
Published: August 2019

Access to cold molecules is critical for quantum information science, design of new sensors, ultracold chemistry, and search of new phenomena.
Metal synergistic effect on cluster optical properties: based on Ag25 series nanoclusters
Authors: Yuan Qianqin , Kang Xi , Hu Daqiao , Qin Chenwanli , Wang Shuxin , Zhu Manzhou
Published: August 2019

We found that the PL intensity of Ag series nanocluster could be controlled by the contraction/expansion of the free valence electrons.
Diferrocenylmercury diphosphine diastereomers with unique geometries:trans-chelation at Pd(ii) with short Hg(ii)⋯Pd(ii) contacts
Authors: Tagne Kuate Alain C. , Lalancette Roger A. , Bannenberg Thomas , Tamm Matthias , Jäkle Frieder
Published: August 2019

Two isomeric diphosphine chelate ligands with divergent orientation of the ferrocenes were prepared independently and their complexation to Pd(ii) investigated.
Effects of pH on AHL signal release and properties of ANAMMOX granules with different biomass densities
Authors: Zhang Jing , Zhang Yan-zhuo , Zhao Bai-hang , Zhang Kai , Liang Dong-bo , Wei Jia , Wang Xiu-jie , Li Jun , Chen Guang-hui
Published: August 2019

This study investigates the effects of pH on the stability and activity of ANAMMOX granules with different biomass densities from the perspective of N-acyl-homoserine lactone (AHL)-based quorum sensing (QS).
Druggability profile of stilbene-derived PPAR agonists: determination of physicochemical properties and PAMPA study
Authors: Linciano Pasquale , De Filippis Barbara , Ammazzalorso Alessandra , Amoia Pasquale , Cilurzo Felisa , Fantacuzzi Marialuigia , Giampietro Letizia , Maccallini Cristina , Petit Charlotte , Amoroso Rosa
Published: August 2019

PPAR agonists represent a new therapeutic opportunity for the prevention and treatment of neurodegenerative disorders, but their pharmacological success depends on favourable pharmacokinetic properties and capability to cross the BBB.
Graphene oxide nanohybrids for electron transfer-mediated antimicrobial activity
Authors: Das Nayan Mani , Singh Amit Kumar , Ghosh Debdatta , Bandyopadhyay Dipankar
Published: August 2019

The charge transfer mechanism of a single bacterial cell with graphene oxide nanohybrids was measured using KPFM.
Beyond the paradigm of nanomechanical measurements on cells using AFM: an automated methodology to rapidly analyse thousands of cells
Authors: Proa-Coronado S. , Séverac C. , Martinez-Rivas A. , Dague E.
Published: August 2019

This paper reports a methodology which includes an algorithm able to move an AFM tip onto a single cell and through several cells combined with a smart strategy of cell immobilization.
Gas-generating nanoparticles for contrast-enhanced ultrasound imaging
Authors: Sun In-Cheol , Emelianov Stanislav
Published: August 2019

A new concept in contrast-enhanced ultrasound imaging: on-demand laser-triggered gas-generating nanoparticles.
Synthesis, growth mechanisms, and applications of palladium-based nanowires and other one-dimensional nanostructures
Authors: Kumar Abhishek , Mohammadi Mohammad Moein , Swihart Mark T.
Published: August 2019

We review the synthesis, characterization, and applications of one-dimensional palladium-based nanostructures and provide perspectives on future directions in this field.
Are one-step aromatic nucleophilic substitutions of non-activated benzenes concerted processes?
Authors: Domingo Luis R. , Ríos-Gutiérrez Mar , Chamorro Eduardo , Pérez Patricia
Published: August 2019

Analysis of the mechanism of one-step SNAr reactions of non-activated benzenes shows the presence of structures similar to those of Meisenheimer intermediates, thus accounting for the non-concerted nature of these reactions.
Amino-diol borate complexation for controlling transport phenomena of penetrant molecules into polymeric matrices
Authors: Unthank Matthew G. , Cameron Colin , Wright Anthony , Hughes David , Alam M. Ashraf , Probert Michael R.
Published: August 2019

A new type of epoxy-amine-borate (EAB) hybrid material is reported for control of penetrant solvent molecules into cross-linked polymer networks.
A new visible light and temperature responsive diblock copolymer
Authors: Qian Sijia , Li Shenzhen , Xiong Weifeng , Khan Habib , Huang Jing , Zhang Wangqing
Published: August 2019

A visible light and temperature responsive diblock copolymer of poly[6-(2,6,2′,6′-tetramethoxy-4′-oxyazobenzene) hexyl methacrylate]-block-poly(N-isopropylacrylamide) (PmAzo-b-PNIPAM) was synthesized via RAFT polymerization by carefully tuning the polymerization conditions.
Light, temperature, and pH control of aqueous azopyridine-terminated poly(N-isopropylacrylamide) solutions
Authors: Ren Hao , Qiu Xing-Ping , Shi Yan , Yang Peng , Winnik Françoise M.
Published: August 2019

Azopyridines (AzPy) act as light-sensitive groups that undergo reversible cis–trans isomerization upon UV irradiation, as hydrogen-bond acceptors, and as ionizable moieties.
Sn nanocrystals embedded in porous TiO2/C with improved capacity for sodium-ion batteries
Authors: Xu Wei , Kong Lingjun , Huang Hui , Zhong Ming , Liu Yingying , Bu Xian-He
Published: August 2019

A cylinder-like Sn/TiO2/C composite was prepared by carbonization and exhibited improved specific capacity in SIBs due to the combination of a porous TiO2/C structure and Sn nanocrystals.
Unraveling the marked differences of the phosphorescence efficiencies of blue-emitting iridium complexes with isomerized phenyltriazole ligands
Authors: Song Chongping , Chen Yanan , Li Jiaqi , Zhao Fei , Zhang Houyu
Published: August 2019

Quantum chemical insights into the marked quantum efficiencies of blue-emitting iridium complexes with isomerized ptz ligands.
Carbonylative transformation of benzyl formates into alkyl 2-arylacetates in organic carbonates
Authors: Qi Xinxin , Lai Ming , Wu Xiao-Feng
Published: August 2019

A carbonylation procedure for the transformation of benzyl formates in organic carbonates has been developed.
Pr3+ doping at the A-site of La0.67Ba0.33MnO3 nanocrystalline material: assessment of the relationship between structural and physical properties and Bean–Rodbell model simulation of disorder effects
Authors: Oumezzine Ma. , Sales Herbet Bezerra , Selmi Ahmed , Hlil E. K.
Published: August 2019

Bulk nanocrystalline samples of (La1−xPrx)0.67Ba0.33MnO3 (0.075 ≤ x ≤ 0.30) manganites with a fixed carrier concentration are prepared by the sol–gel based Pechini method.
Synthesis of novel benzopyran-connected pyrimidine and pyrazole derivatives via a green method using Cu(ii)-tyrosinase enzyme catalyst as potential larvicidal, antifeedant activities
Authors: Abdel-Fattah Mostafa Ashraf , SathishKumar Chidambaram , Al-Askar Abdulaziz Abdulrahman , Sayed Shaban R. M. , SurendraKumar Radhakrishnan , Idhayadhulla Akbar
Published: August 2019

Cu(ii)-tyrosinase catalytic help with the synthesis of benzopyran-connected pyrimidine and pyrazole derivatives and their larvicidal activity.
Porous carbon material derived from fungal hyphae and its application for the removal of dye
Authors: Chen Siji , Wang Zhixiao , Xia Yuhan , Zhang Bolun , Chen Huan , Chen Guang , Tang Shanshan
Published: August 2019

A highly porous carbon material based on fungal hyphae was prepared using mixed alkali and its application for removal of dye investigated.
Bismuth trioxide-tailored sintering temperature, microstructure and NTCR characteristics of Mn1.1Co1.5Fe0.4O4 ceramics
Authors: Wang Bing , Wang Junhua , Chang Aimin , Yao Jincheng
Published: August 2019

The addition of bismuth trioxide hugely decreased the sintering temperature and improved aging stability.
Effects of chain extender on properties and foaming behavior of polypropylene foam
Authors: Kim Do Young , Cha Ji Hun , Seo Kwan Ho
Published: August 2019

The mechanism of the grafting and chain extension reaction and changes in the PP structure and foamability.
Boosting the performance of broccoli-like Ni-triazole frameworks through a CNTs conductive-matrix
Authors: Wang Kuaibing , Wang Huijian , Chu Yang , Lu Aimin , Mao Feifei , Wang Zikai , Zheng Mingbo , Wu Hua
Published: August 2019

CNT-supported Ni-triazole hybrids with various morphologies, MMOF wrapped CNTs, CNTs entangled with MMOF and CNTs attached on MMOFs, have been synthesized and investigated through electrochemical measurements.
A neural-network-like catalyst structure for the oxygen reduction reaction: carbon nanotube bridged hollow PtCo alloy nanoparticles in a MOF-like matrix for energy technologies
Authors: Wang Jian , Wu Guangping , Wang Wanglan , Xuan Wenhui , Jiang Jingxia , Wang Jianchuan , Li Li , Lin Wen-Feng , Ding Wei , Wei Zidong
Published: August 2019

Inspired by the brain neural systems, an ideal multi-scale model for high level utilization of constitutional unit, a neural-network-like catalyst structure was produced with a remarkable Pt utilization efficiency of 98 mgPtkW−1in the fuel cell.
A surface-engineered NIR light-responsive actuator for controllable modulation of collective cell migration
Authors: Liu Jiayu , Shang Jinhui , Chen Yancao , Tian Yueyue , Yang Qian , Chen Mei , Xiong Bin , Zhang Xiao-Bing
Published: August 2019

A surface-engineered NIR light-responsive actuator has been presented for manipulating collective cell migration by activating mechanical signal transduction in live cells.
Strategy of differentiation therapy: effect of dual-frequency ultrasound on the induction of liver cancer stem-like cells on a HA-based multilayer film system
Authors: Lee I-Chi , Fadera Siaka , Liu Hao-Li
Published: August 2019

HA-based multilayer films were used to select CSCs, and LIUS induces CSC differentiation and reduces drug resistance and invasion ability.
Retinoic acid/calcite micro-carriers inserted in fibrin scaffolds modulate neuronal cell differentiation
Authors: Barbalinardo Marianna , Di Giosia Matteo , Polishchuk Iryna , Magnabosco Giulia , Fermani Simona , Biscarini Fabio , Calvaresi Matteo , Zerbetto Francesco , Pellegrini Graziella , Falini Giuseppe , Pokroy Boaz , Valle Francesco
Published: August 2019

The controlled release of cell differentiating agents is crucial in many aspects of regenerative medicine. A novel scaffold based on a fibrin–calcite composite material is presented and cells are differentiated within its structure.
Design, postpolymerization conjugation and self-assembly of a di-block copolymer-based prodrug for tumor intracellular acid-triggered DOX release
Authors: Dong Yuman , Du Pengcheng , Pei Mingliang , Liu Peng
Published: August 2019

A novel di-block copolymer-based prodrug was designed by atom transfer radical polymerization (ATRP) of glycidyl methacrylate (GMA) with a polyethylene glycol-based initiator (PEG-Br), postpolymerization aldehyde-modification, and doxorubicin (DOX) conjugation via an acid-labile imine bond.
Swelling-induced 3D photopatterning on a diselenide-containing elastomer
Authors: Fan Fuqiang , Liu Cheng , Wang Sha , Lv Jinqiu , Li Wenze , Fu Yu , Xu Huaping
Published: August 2019

Swelling-induced 3D photopatterning is developed to manipulate both the shape and surface topography of a material.
Impact of PSCA gene polymorphisms in modulating gastric cancer risk in the Chinese population
Authors: Yan Kangpeng , Wu Kun , Lin Chao , Jie Zhigang
Published: August 2019

Previous studies have identified the prostate stem cell antigen (PSCA) gene rs2294008 C > T and rs2976392 G > A polymorphisms to be associated with the risk of gastric cancer, the results of which are inconsistent. The present study aimed to evaluate the association between the two polymorphisms and the gastric cancer risk in the Chinese population. A hospital-based case–control study was conducted on 549 cases and 592 healthy controls. Odds ratios (ORs) and 95% confidence intervals (CIs) were applied to evaluate the association of the two polymorphisms on the gastric cancer risk. We found that both rs2294008 (CT vs. CC, OR = 1.55, 95% CI = 1.20–1.99, P<0.001 and CT+TT vs. CC, OR = 1.38, 95% CI = 1.09–1.74, P=0.008) and rs2976392 (GA vs. GG, OR = 1.61, 95% CI = 1.25–2.07, P<0.001 and GA+AA vs. GG, OR = 1.52, 95% CI = 1.20–1.92, P<0.001) were associated with an increased gastric cancer. In the combined analysis of the two polymorphisms, subjects with more than one risk genotype have a significantly increased risk of gastric cancer (OR = 1.38, 95% CI = 1.09–1.75, P=0.008) in comparison with those without any risk genotypes. In conclusion, our findings verified that the PSCA gene rs2294008 and rs2976392 polymorphisms were both significantly associated with an increased risk of gastric cancer in the Chinese population. Well-designed functional studies are to be warranted to confirm these findings.
Three-dimensional modeling of chromospheric spectral lines in a simulated active region
Authors: Bjørgen Johan P. , Leenaarts Jorrit , Rempel Matthias , Cheung Mark C. M. , Danilovic Sanja , de la Cruz Rodríguez Jaime , Sukhorukov Andrii V.
Published: August 2019

Context. Because of the complex physics that governs the formation of chromospheric lines, interpretation of solar chromospheric observations is difficult. The origin and characteristics of many chromospheric features are, because of this, unresolved.

Aims. We focus on studying two prominent features: long fibrils and flare ribbons. To model these features, we use a 3D magnetohydrodynamic simulation of an active region, which self-consistently reproduces both of these features.

Methods. We modeled the Hα, Mg II k, Ca II K, and Ca II 8542 Å lines using the 3D non-LTE radiative transfer code Multi3D. To obtain non-LTE electron densities, we solved the statistical equilibrium equations for hydrogen simultaneously with the charge conservation equation. We treated the Ca II K and Mg II k lines with partially coherent scattering.

Results. This simulation reproduces long fibrils that span between the opposite-polarity sunspots and go up to 4 Mm in height. They can be traced in all lines owing to density corrugation. In contrast to previous studies, Hα, Mg II h&k, and Ca II H&K are formed at similar height in this model. Although some of the high fibrils are also visible in the Ca II 8542 Å line, this line tends to sample loops and shocks lower in the chromosphere. Magnetic field lines are aligned with the Hα fibrils, but the latter holds to a lesser extent for the Ca II 8542 Å line. The simulation shows structures in the Hα line core that look like flare ribbons. The emission in the ribbons is caused by a dense chromosphere and a transition region at high column mass. The ribbons are visible in all chromospheric lines, but least prominent in Ca II 8542 Å line. In some pixels, broad asymmetric profiles with a single emission peak are produced similar to the profiles observed in flare ribbons. They are caused by a deep onset of the chromospheric temperature rise and large velocity gradients.

Conclusions. The simulation produces long fibrils similar to what is seen in observations. It also produces structures similar to flare ribbons despite the lack of nonthermal electrons in the simulation. The latter suggests that thermal conduction might be a significant agent in transporting flare energy to the chromosphere in addition to nonthermal electrons.
Baryon acoustic oscillations from the cross-correlation of Lyαabsorption and quasars in eBOSS DR14
Authors: Blomqvist Michael , du Mas des Bourboux Hélion , Busca Nicolás G. , de Sainte Agathe Victoria , Rich James , Balland Christophe , Bautista Julian E. , Dawson Kyle , Font-Ribera Andreu , Guy Julien , Le Goff Jean-Marc , Palanque-Delabrouille Nathalie , Percival Will J. , Pérez-Ràfols Ignasi , Pieri Matthew M. , Schneider Donald P. , Slosar Anže , Yèche Christophe
Published: August 2019

We present a measurement of the baryon acoustic oscillation (BAO) scale at redshiftz = 2.35 from the three-dimensional correlation of Lyman-α(Lyα) forest absorption and quasars. The study uses 266 590 quasars in the redshift range 1.77 <  z <  3.5 from the Sloan Digital Sky Survey (SDSS) Data Release 14 (DR14). The sample includes the first two years of observations by the SDSS-IV extended Baryon Oscillation Spectroscopic Survey (eBOSS), providing new quasars and re-observations of BOSS quasars for improved statistical precision. Statistics are further improved by including Lyαabsorption occurring in the Lyβwavelength band of the spectra. From the measured BAO peak position along and across the line of sight, we determined the Hubble distanceDHand the comoving angular diameter distanceDMrelative to the sound horizon at the drag epochrd:DH(z = 2.35)/rd = 9.20 ± 0.36 andDM(z = 2.35)/rd = 36.3 ± 1.8. These results are consistent at 1.5σwith the prediction of the best-fit spatially-flat cosmological model with the cosmological constant reported for thePlanck(2016) analysis of cosmic microwave background anisotropies. Combined with the Lyαauto-correlation measurement presented in a companion paper, the BAO measurements atz = 2.34 are within 1.7σof the predictions of this model.
Spot evolution on LQ Hya from 2006–2017: temperature maps based on SOFIN and FIES data
Authors: Cole-Kodikara Elizabeth M. , Käpylä Maarit J. , Lehtinen Jyri J. , Hackman Thomas , Ilyin Ilya V. , Piskunov Nikolai , Kochukhov Oleg
Published: August 2019

Context. LQ Hya is one of the most frequently studied young solar analogue stars. Recently, it has been observed to show intriguing behaviour when analysing long-term photometry. For instance, from 2003–2009, a coherent spot structure migrating in the rotational frame was reported by various authors. However, ever since, the star has entered a chaotic state where coherent structures seem to have disappeared and rapid phase jumps of the photometric minima occur irregularly over time.

Aims. LQ Hya is one of the stars included in the SOFIN/FIES long-term monitoring campaign extending over 25 yr. Here, we publish new temperature maps for the star during 2006–2017, covering the chaotic state of the star.

Methods. We used a Doppler imaging technique to derive surface temperature maps from high-resolution spectra.

Results. From the mean temperatures of the Doppler maps, we see a weak but systematic increase in the surface temperature of the star. This is consistent with the simultaneously increasing photometric magnitude. During nearly all observing seasons, we see a high-latitude spot structure which is clearly non-axisymmetric. The phase behaviour of this structure is very chaotic but agrees reasonably well with the photometry. Equatorial spots are also frequently seen, but we interpret many of them to be artefacts due to the poor to moderate phase coverage.

Conclusions. Even during the chaotic phase of the star, the spot topology has remained very similar to the higher activity epochs with more coherent and long-lived spot structures. In particular, we see high-latitude and equatorial spot activity, the mid latitude range still being most often void of spots. We interpret the erratic jumps and drifts in phase of the photometric minima to be caused by changes in the high-latitude spot structure rather than the equatorial spots.
Planet–planet scattering as the source of the highest eccentricity exoplanets
Authors: Carrera Daniel , Raymond Sean N. , Davies Melvyn B.
Published: August 2019

Most giant exoplanets discovered by radial velocity surveys have much higher eccentricities than those in the solar system. The planet–planet scattering mechanism has been shown to match the broad eccentricity distribution, but the highest-eccentricity planets are often attributed to Kozai-Lidov oscillations induced by a stellar companion. Here we investigate whether the highly eccentric exoplanet population can be produced entirely by scattering. We ran 500 N-body simulations of closely packed giant-planet systems that became unstable under their own mutual perturbations. We find that the surviving bound planets can have eccentricities up to e >  0.99, with a maximum of 0.999017 in our simulations. This suggests that there is no maximum eccentricity that can be produced by planet–planet scattering. Importantly, we find that extreme eccentricities are not extremely rare; the eccentricity distribution for all giant exoplanets with e >  0.3 is consistent with all planets concerned being generated by scattering. Our results show that the discovery of planets with extremely high eccentricities does not necessarily signal the action of the Kozai-Lidov mechanism.
Solar image denoising with convolutional neural networks
Authors: Díaz Baso C. J. , de la Cruz Rodríguez J. , Danilovic S.
Published: August 2019

The topology and dynamics of the solar chromosphere are greatly affected by the presence of magnetic fields. The magnetic field can be inferred by analyzing polarimetric observations of spectral lines. Polarimetric signals induced by chromospheric magnetic fields are, however, particularly weak, and in most cases very close to the detection limit of current instrumentation. Because of this, there are only few observational studies that have successfully reconstructed the three components of the magnetic field vector in the chromosphere. Traditionally, the signal-to-noise ratio of observations has been improved by performing time-averages or spatial averages, but in both cases, some information is lost. More advanced techniques, like principal-component analysis, have also been employed to take advantage of the sparsity of the observations in the spectral direction. In the present study, we use the spatial coherence of the observations to reduce the noise using deep-learning techniques. We designed a neural network that is capable of recovering weak signals under a complex noise corruption (including instrumental artifacts and non-linear post-processing). The training of the network is carried out without a priori knowledge of the clean signals, or an explicit statistical characterization of the noise or other corruption. We only use the same observations as our generative model. The performance of this method is demonstrated on both synthetic experiments and real data. We show examples of the improvement in typical signals obtained in current telescopes such as the Swedish 1 m Solar Telescope. The presented method can recover weak signals equally well no matter what spectral line or spectral sampling is used. It is especially suitable for cases when the wavelength sampling is scarce.
Chaos in the inert Oort cloud
Authors: Saillenfest Melaine , Fouchard Marc , Ito Takashi , Higuchi Arika
Published: August 2019

Context. Distant trans-Neptunian objects are subject to planetary perturbations and galactic tides. The former decrease with the distance, while the latter increase. In the intermediate regime where they have the same order of magnitude (the “inert Oort cloud”), both are weak, resulting in very long evolution timescales. To date, three observed objects can be considered to belong to this category.

Aims. We aim to provide a clear understanding of where this transition occurs, and to characterise the long-term dynamics of small bodies in the intermediate regime: relevant resonances, chaotic zones (if any), and timescales at play.

Methods. The different regimes are explored analytically and numerically. We also monitored the behaviour of swarms of particles during 4.5 Gyrs in order to identify which of the dynamical features are discernible in a realistic amount of time.

Results. There exists a tilted equilibrium plane (Laplace plane) about which orbits precess. The dynamics is integrable in the low and high semi-major axis regimes, but mostly chaotic in between. From about 800 to 1100 astronomical units (au), the chaos covers almost all the eccentricity range. The diffusion timescales are large, but not to the point of being indiscernible in a 4.5 Gyrs duration: the perihelion distance can actually vary from tens to hundreds of au. Orbital variations are damped near the ecliptic (where previous studies focussed), but favoured in specific ranges of inclination corresponding to well-defined resonances. Moreover, starting from uniform distributions, the orbital angles cluster after 4.5 Gyrs for semi-major axes larger than 500 au, because of a very slow differential precession.

Conclusions. Even if it is characterised by very long timescales, the inert Oort cloud mostly features chaotic regions; it is therefore much less inert than it appears. Orbits can be considered inert over 4.5 Gyrs only in small portions of the space of orbital elements, which include (90377) Sedna and 2012VP113. Effects of the galactic tides are discernible down to semi-major axes of about 500 au. We advocate including the galactic tides in simulations of distant trans-Neptunian objects, especially when studying the formation of detached bodies or the clustering of orbital elements.
Alkoholrückfall nach medizinisch indizierter Cannabistherapie
Authors: Flöther Lilit , Peitek Kathrin , Bucher Michael , Benndorf Ralf A.
Published: August 2019

Anamnese und klinischer Befund In dieser Kasuistik berichten wir über einen 60-jährigen Patienten, der in unserer Ambulanz für Spezielle Schmerztherapie aufgrund einer „Mixed-Pain“-Schmerzsymptomatik bei Zustand nach operativer Entfernung eines Plattenepithelkarzinoms des Mundbodens analgetisch behandelt wurde. Nebenbefundlich war bei dem Patienten ein Zustand nach Alkoholabusus bekannt.

Untersuchungen und Diagnose Der Patient war in reduziertem Allgemeinzustand und kachektischem Ernährungszustand. Es bestanden progrediente Schmerzen im Mund mit Ausstrahlung in beide Ohren sowie Appetitlosigkeit, so dass die Diagnose eines tumorbedingten Schmerzes (Mixed-Pain) und einer tumorbedingten Kachexie bei Zustand nach kurativer Behandlung eines Plattenepithelkarzinoms des Mundbodens gestellt wurde.

Therapie und Verlauf Aufgrund des zunehmend kachektischen Ernährungszustandes und andauernder Appetitlosigkeit des Patienten wurde nach Abstimmung mit dem Versicherungsträger eine Therapie mit dem Cannabis-Spray Sativex® (enthält u. a. delta-9-Tetrahydrocannabinol und Cannabidiol) eingeleitet. Trotz anfänglich guter Verträglichkeit musste die Therapie aufgrund eines Alkoholrückfalls des Patienten abgebrochen werden. Nach Beendigung der Therapie konnte der Alkoholkonsum wieder beherrscht werden.

Folgerung Dieser Fall bestätigt aus unserer Sicht, dass Medizinisches Cannabis bei Patienten mit anamnestisch bekannten Suchterkrankungen nur äußerst zurückhaltend eingesetzt werden sollte.
Diagnostik und Therapie bei HIV-Infektion – was muss der Hausarzt wissen?
Authors: Ankert Juliane , Rößler Steve , Flössner Christian , Jablonka Alexandra , Schleenvoigt Benjamin T.
Published: August 2019

According to the Robert Koch Institute, the estimated HIV prevalence in Germany is 86 100. On-third of the affected persons is over 50 years old. Overall, the prognosis of patients with HIV infection depends crucially on the time of diagnosis. The unfounded stigmatization of affected patients stands in the way of today's treatment options as it did 30 years ago. Every practice of primary care must also take into consideration the medical care of HIV-infected people. The purpose of this article is to make the general practitioner aware of this topic and to prepare for the necessary procedure in everyday practice in this rare but not unlikely situation.
Update – Kalziumstoffwechsel
Authors: Schöfl Christof
Published: August 2019

A finely balanced control system keeps the extracellular calcium concentration within narrow limits. Disorders of calcium metabolism are often based on altered parathormone levels. Symptoms are not always clear, sometimes they are even missing: the more it is important to know possible associated diseases. The author presents basics, current diagnostics and concrete therapy options. Central hormone for the regulation of the calcium balance is the parathyroid hormone. With decreasing calcium, PTH leads to an increase in extracellular free calcium concentration in three ways. The classic symptoms of pHPT (polyuria, polydipsia, “stone, leg, and stomach pain”) are rare now, as the condition is diagnosed much earlier. Treatment of choice in all symptomatic patients with pHPT is surgery. FHH and pHPT are both characterized by hypercalcaemia and increased parathyroid hormone. The differential diagnosis of urinary calcium excretion, which is usually lower in FHH but normal or elevated in pHPT, is crucial. In primary hypoparathyroidism, parathyroid failure interferes with calcium homeostasis at a central location. Consequences are hypocalcaemia, hyperphosphatemia and lack of active vitamin D. Due to increased urinary calcium excretion, patients with ADH are at high risk for kidney stones, nephrocalcinosis and the development of renal insufficiency. Recently, rhPTH 1-84 has been available for the treatment of hypoparathyroidism. However, long-term data is still lacking to provide a safe indication, considering potential effects and side effects.
Stellenwert der koronararteriellen Revaskularisation in der Herzinsuffizienztherapie
Authors: Schlegel Philipp , Kreußer Michael , Katus Hugo A. , Raake Philip
Published: August 2019

Die koronare Herzerkrankung (KHK) stellt mit circa 70% die häufigste Ursache für die Entwicklung einer chronischen Herzinsuffizienz dar. Als einziger kausaler Ansatz ist die Revaskularisation die wichtigste Therapie, um eine Verbesserung der kardialen Funktion und Gesamtprognose zu erreichen. Bislang liegen nur für die chirurgische Revaskularisation positive Daten aus randomisierten, kontrollierten Studien vor. Die Entscheidung hinsichtlich Bypassoperation oder perkutaner Koronarintervention ist eine klassische Fragestellung für das Heartteam, wobei neben dem klinischen Zustand und operativen Risiko des Patienten die Erreichbarkeit einer vollen Revaskularisation, die Koronaranatomie, Herzklappenerkrankungen und weitere Komorbiditäten mit einkalkuliert werden müssen. Bei Mehrgefäß-KHK kommt eine perkutane Koronarintervention infrage, wenn dadurch eine vollständige Revaskularisation erreicht werden kann und/oder das OP-Risiko als deutlich erhöht einzuschätzen ist. Weiterführende Therapieansätze bis hin zu kardialen Unterstützungssystemen und die Listung zur Herztransplantation sollten erst nach Revaskularisation erwogen werden.
Wissenschaftlicher Überblick zu bewegungstherapeutischen Interventionsstudien in onkologischen Rehabilitationskliniken
Authors: Wolf Florian , Baumann Freerk T. , Wirtz Petra
Published: August 2019

Ziel der Arbeit Zahlreiche Studien belegen die ganzheitlich-positiven Effekte bewegungstherapeutischer Interventionen bei Krebspatienten. Auch in der onkologischen Rehabilitationsklinik besitzt die Bewegungstherapie einen hohen Stellenwert, deren Erkenntnisse hier zusammengefasst werden sollen.

Methoden Es wurde die Datenbank Pubmed sowie die Publikationen der Rehabilitationswissenschaftlichen Kolloquien nach Interventionsstudien von 2006 bis Januar 2018 durchsucht.

Ergebnisse 13 Publikationen wurden identifiziert, die sich auf 8 Studien bezogen, von denen 5 RCTs waren. In erster Linie zeigten Studien den positiven Effekt von Trainingsinterventionen auf das Fatigue-Syndrom und das Bewegungsverhalten. Für viele Parameter liegen jedoch noch keine validen Ergebnisse vor.

Schlussfolgerung Zukünftige Studien im Setting der onkologischen Rehabilitationskliniken sollten insbesondere auf die objektive Erfassung von körperlicher Aktivität und körperlicher Fitness, lange Follow-Up-Zeiträume, ein multizentrisches Design, eine Personalisierung des Trainings und eine intensivierte Nachsorge achten.
Ambulante Rehabilitationssportangebote für Krebspatienten: Eine Befragungsstudie zu Barrieren und Zugangswegen
Authors: Graf Katharina , Vogt Lutz , Middelmann Felix , Jäger Elke , Banzer Winfried
Published: August 2019

Hintergrund Trotz einer steigenden Anzahl an Rehabilitationssportgruppen für Krebspatienten wird häufig von Schwierigkeiten beim Zugang zu entsprechenden wohnortnahen Angeboten berichtet. Ziel der Untersuchung war daher die Erhebung von Zugangswegen sowie wahrgenommenen Barrieren und Einflussgrößen für den Einstieg und die langfristige Teilnahme am Rehabilitationssport für Krebspatienten.

Methode An der quantitativen und qualitativen Befragung beteiligten sich 189 Teilnehmer aus 21 ambulanten Rehabilitationssportgruppen (63±10 J.; 96 % weiblich; 82 % Brustkrebs; Rehasport-Teilnahme seit im Median 29 Monaten). Mittels standardisiertem Instrument (offene und geschlossene Fragen; validierte Skalen) wurden systematisch Faktoren erfasst, die Einstieg und Teilnahme am Rehabilitationssport potenziell beeinflussen können (z. B. Barrieren, Motive).

Ergebnisse Vor dem Einstieg hatten 151 (80 %) der Befragten eine Empfehlung für die Teilnahme am Rehabilitationssport bekommen (40 % Stationäre Rehabilitation / Anschlussheilbehandlung; 24 % Familie / Freunde; 16 % Onkologe; 11 % Personal der onkologischen Einrichtung; 10 % Hausarzt / Gynäkologe). Hindernisse / Bedenken vor dem Einstieg umfassten insbesondere eine als zu starke wahrgenommene Müdigkeit / Erschöpfung (37 %), zu starke Schmerzen / Unwohlsein (15 %) und das Gefühl einer therapie- / erkrankungsbedingt zu geringen Fitness (14 %) sowie fehlende Kenntnisse über passende Angebote (19 %) und unzureichende Empfehlungen (13 %). Primäre Motive für den Einstieg und die Teilnahme am Rehabilitationssport liegen in einer Verbesserung von Gesundheit und Wohlbefinden (97 bzw. 93 %) sowie einer Reduktion von (Krankheits-)Beschwerden (96 %) und Rezidivrisiko (82 %). Fast alle Teilnehmer (n = 185; 98 %) wollen nach der Teilnahme am Rehasport weiterhin regelmäßig körperlich-sportlich aktiv bleiben (74 % im Sportverein, davon 36 % zusätzlich privat; 17 % ausschließlich privat). Gut 2 / 3 der Befragten (68 %) haben Interesse, an weiteren regulären Vereinssport-Angeboten teilzunehmen, 38 % kennen keine anderen Angebote bzw. Möglichkeiten im Verein.

Diskussion Konkrete Empfehlungen und adäquate Aufklärung über Durchführbarkeit, Nutzen und Möglichkeiten von Rehabilitationssport scheinen für den Einstieg in eine entsprechende Krebssportgruppe relevant. Informationen zu Angeboten und Möglichkeiten, bestenfalls bereits während der Krebstherapie, könnten den Einstieg in den Rehasport und konsekutiv einen aktiven Lebensstil sowie die Nutzung des Potenzials von Bewegung unterstützen.
Sport- und Bewegungsempfehlung nach Brustrekonstruktion: Erste Ergebnisse einer Online-Befragung und Erfahrungen aus der Praxis
Authors: Otto Stephanie , de Gregorio Nikolaus , Volz Sophia , Janni Wolfgang , de Gregorio Amelie , Michael Steinacker Jürgen , Ebner Florian
Published: August 2019

Die plastisch-kosmetische Brustrekonstruktion wird aus unterschiedlichsten Indikationen durchgeführt. Patientinnen mit einem entsprechenden Eingriff sind körper-bewusst und nehmen an verschiedensten körperlichen Aktivitäten bzw. Sport teil. Da die postoperativen Empfehlungen nur auf niedrigem Evidenzniveau bei Brustrekonstruktion existieren, wurde mittels einer online Befragung ein erster Überblick über die Empfehlungen erhoben. Demzufolge kann die Wiederaufnahme von Sport unterstützt werden, es sollte jedoch auf mögliche Risiken hingewiesen werden. Grundsätzlich ist nach derzeitigem Kenntnisstand nicht von Sport und körperlicher Aktivität nach einem Brustwiederaufbau abzuraten.
Deuterated Aryl Alkyl Ethers Synthesis via Nucleophilic Etherification of Aryl Alkyl Ethers and Thioethers with Deuterated Alcohols
Authors: Li Shuai , Wang Xia , Yang Xin-Ge , Yu Gui-Quan , Wang Xue-Qiang
Published: August 2019

A transition-metal-free etherification protocol that is capable of synthesizing deuterated ethers is described. A wide range of aryl alkyl ethers and thioethers were suitable for this transformation owing to the mild reaction conditions. Besides, a series of sterically bulky deuterated alcohols were successfully incorporated into cyano-substituted arenes. The results of mechanistic studies suggested this reaction might take place via nucleophilic aromatic substitution pathway.
An Expedient, Direct, Three-Component Approach for the Synthesis of 4-Thioarylpyrroles
Authors: Rajeshkumar Venkatachalam , Neelamegam Chinnaraj , Anandan Sambandam
Published: August 2019

A three-component strategy for the synthesis of 4-thioarylpyrroles from 1,4-enediones, thiols, and ammonium formate in one-pot has been developed. The reaction proceeds through the sequential thiol-Michael/Paal–Knorr reaction of 1,4-enediones with the formation of one new C–S and two C–N bonds. The operationally simple protocol provides direct access to the highly functionalized 4-thioarylpyrroles with free-NH in good to excellent yields. The synthetic application of resulting 4-thioarylpyrroles was demonstrated by oxidation of the sulfur atom to the corresponding sulfoxide and sulfone.
An electric field measurement method based on electro-optical modulation for corona discharge in air
Authors: Fan Xing , Chen Weijiang , Zhang Qiaogen , Chen Ming , Wen Tao , Zhang Xiaohan , Pei Zhehao , He Tianyu
Published: August 2019

To study corona discharge in air, it is important to measure the electric field in the discharge space, which is directly related to the corona discharge process. In this paper, we present a method for measuring the electric field with electro-optical modulation. This method uses space laser modulation based on Bi4Ge3O12 (BGO) crystals, and we suggest using the dual optical path difference method to improve the measurement performance. The measurement error is analyzed from theory, including the measurement error of a highly inhomogeneous electric field and the error due to theoretical approximation. In system calibration, the system noise and the dual optical path difference method were analyzed. The dynamic linear range is determined, and measurement effectiveness in the severely nonuniform electric field is verified by comparison with a finite element numerical simulation. We measured the electric field in Trichel pulses under negative dc voltage and found electric field pulses. These measurement results show that the characteristics of Trichel pulses are directly related to the electric field. Therefore, this method can provide strong support for the study of corona discharges.
Stepwise shock compression of aluminum at room and elevated temperatures
Authors: Kanel G. I. , Savinykh A. S. , Garkushin G. V. , Razorenov S. V.
Published: August 2019

With the aim of expanding the measurable range of high-rate deformation, experiments were conducted in which AD1 aluminum [A199.3 under the international classification and AA1135 in the USA (American National Standards Institute)] was subjected to stepwise shock compression at both room temperature and in the range of 498–530 °C. Measurements of the width of the plastic shock waves revealed that the anomalous thermal hardening at strain rates exceeding 105 s−1 is maintained upon increasing the deformation up to at least 6.5%. The hysteresis during shock compression and unloading cycles of the elastic–plastic body was analyzed. The results indicated that determination of the stress states behind the plastic shock wave utilizing this method requires higher than usual measurements and calculation accuracies.
Photophysics of lead-free tin halide perovskite films and solar cells
Authors: Handa Taketo , Wakamiya Atsushi , Kanemitsu Yoshihiko
Published: August 2019

The last five years have seen very active research in the field of environmentally friendly lead-free perovskite solar cells. Tin halide perovskites are certainly one of the most promising alternatives to lead-based perovskites, while the performance of present tin-based perovskite solar cells is still relatively low. Nevertheless, recent experiments on thin films with improved quality have indicated that tin halide perovskites can, in principle, provide a high device performance. In this Perspective, we summarize recent progress in the understanding of the fundamental photophysics of tin halide perovskite thin films. To identify the reason for the low performance of present devices, we discuss the energy loss mechanisms in solar cell structures from the viewpoint of photocarrier dynamics.
Platinum, gold, and silver standards of intermolecular interaction energy calculations
Authors: Kodrycka Monika , Patkowski Konrad
Published: August 2019

High-accuracy noncovalent interaction energies are indispensable as data points for potential energy surfaces and as benchmark values for improving and testing more approximate approaches. The preferred algorithm (the gold standard) for computing these energies has been the coupled-cluster method with singles, doubles, and perturbative triples [CCSD(T)] converged to the complete basis set (CBS) limit. However, gold-standard calculations are expensive as correlated interaction energies converge slowly with the basis set size, and establishing the CBS limit to better than 0.05 kcal/mol typically requires a CCSD(T) calculation in a basis set of at least triple-zeta quality. If an even higher accuracy is required (for example, for the assignment of complicated high-resolution spectra), establishing a superior platinum standard requires both a precisely converged CCSD(T)/CBS limit and the corrections for the core correlation, relativistic effects, and higher-order coupled-cluster terms at least through the perturbative quadruple excitations. On the other hand, if a triple-zeta CCSD(T) calculation is not feasible but a double-zeta one is, it is worthwhile to look for a silver standard that provides the most accurate and consistent approximation to the gold standard at a reduced computational cost. We review the recent developments aimed at (i) increasing the breadth and diversity of the available collection of gold-standard benchmark interaction energies, (ii) evaluating the best computational strategies for platinum-standard calculations and producing beyond-CCSD(T) potential energy surfaces for spectroscopic and scattering applications of the highest precision, and (iii) improving the accuracy of the silver-standard, double-zeta-level CCSD(T)/CBS estimates through the use of explicit correlation and midbond basis functions. We also outline the remaining challenges in the accurate ab initio calculations of noncovalent interaction energies.
Derivation of a current-voltage-type plot beyond the Fowler-Nordheim one: The role of the voltage-dependency on the emission area
Authors: de Assis Thiago A. , Dall’Agnol Fernando F.
Published: August 2019

A dependency of the emission area on the applied voltage has been recently confirmed in reliable cold field emission experiments considering emitters in a large area form. In this work, we show that the inclusion of this dependency leads to a more general theory and then to a derivation of a more general current-voltage plot. This derivation is patent to a precise field emitter characterization, even in a single tip emitter form. We confirmed our analytical predictions using first-principles electrostatic calculations for a hemisphere on a cylindrical post and for ellipsoidal conducting emitters. As a consequence, a new plot is proposed beyond the Fowler-Nordheim one. This plot is experimentally feasible and provides, with high precision, the apex field enhancement factor from orthodox current-voltage characteristics.
The Velociprobe: A next-generation, ultra-high-resolution X-ray ptychographic microscope
Authors: Kim Meeri
Published: August 2019

A new article presents an ultra-stable, ultra-fast X-ray microscope that will take advantage of the 100-fold increase in photons produced after the upgrade of the Advanced Photon Source.
Recovery of southern bent-winged bats (Miniopterus orianae bassanii) after PIT-tagging and the use of surgical adhesive
Authors: van Harten Emmi , Reardon Terry , Holz Peter H. , Lawrence Ruth , Prowse Thomas A. A. , Lumsden Lindy F.
Published: August 2019

Surgical adhesive is widely used to prevent shedding of injected PIT-tags, but the effect of this adhesive on individuals has not been documented. We recaptured 52 southern bent-winged bats up to 741 days after PIT-tagging. All recaptured individuals were in good body condition, with no signs of infection or skin irritation; however, temporary fur loss occurred at the injection site. We advocate that researchers consider the impact this may have on study species, particularly when PIT-tagging small mammals during cooler months.
Temporal and spatial variability of the open coast wave climate of Victoria, Australia
Authors: McSweeney S. L.
Published: August 2019

The open coast of Victoria, Australia, is one of the highest wave energy coastlines globally. Despite this, a lack of permanently deployed wave buoys has limited prior analysis of wave conditions. In this study, the wave climate of Victoria was analysed using 31 years of directional data hindcast from the National Oceanic and Atmospheric Administration’s WaveWatch-III model (Climate Forecast System Reanalysis hindcasts). An eastward decrease in wave height and period occurs from Portland to Wilson’s Promontory. This trend then reverses on the east coast. Across the west and central coasts, wave direction is dominated by south-west swells as influenced by strong westerly winds and mid-latitude low-pressure systems. On the east coast, wave direction becomes more variable, with added southerly, south-east and easterly components. The Southern Annular Mode influences wave climate variability on the west coast and is negatively correlated with storm frequency and wave direction. On the east coast, the El Niño–Southern Oscillation showed a strong positive correlation with wave height and a negative correlation with direction. This work provides a benchmark to compare to future changes. It will inform a higher-resolution analysis of the spatial correlation of wave conditions with climate processes to predict shoreline response.