bluuebunny/crossref_metadata_2025 huggingface dataset:
Efficient Adsorption of Sulfamethazine onto Modified Activated Carbon: A Plausible Adsorption Mechanism
Authors: Liu Ying , Liu Xiaohui , Dong Wenping , Zhang Lingli , Kong Qiang , Wang Weiliang
Published: September 2017

Activated carbon (AC) was modified by FeCl3. Batch experiments were carried out to evaluate the characteristics of equilibrium, kinetics and thermodynamics of Sulfamethazine adsorption onto original and modified AC. The results showed that Fe3+treatment changed the surface area, pore volume and surface zeta potential and increased the number of surface oxygenic functional groups. The adsorption of Sulfamethazine on modified activated carbon (MAC) was significantly improved. Isotherm test results revealed that the adsorption isotherms of Sulfamethazine on MAC fit the Freundlich, Langmuir and Temkin equations well. The maximum adsorption quantity of Sulfamethazine on MAC was 17.2414 mg/g at 25 °C. The adsorption kinetics of Sulfamethazine on AC and MAC can be characterized by the pseudo-second-order model. The adsorption process was affected by membrane diffusion, surface adsorption and internal diffusion. The adsorption quantities of Sulfamethazine first increased and then decreased for pH between 3 and 10. The removal efficiencies decreased with increasing temperature, which is favorable for adsorption at low temperature. It was also found that the mechanisms of adsorption included micropore capture and electrostatic, hydrogen bonding, π-π electron donor-acceptor (EDA) and coordination interactions as well as other interactions.
Structural colour of unary and binary colloidal crystals probed by scanning transmission X-ray microscopy and optical microscopy
Authors: Nho Hyun Woo , Yoon Tae Hyun
Published: September 2017

Colloidal crystals composed of micro- or nano- colloids have been investigated in various fields such as photonics due to their unique optical properties. Binary colloidal crystals have an outstanding potential for fine-tuning material properties by changing the components, concentration, or size of colloids. Because of their tunable optical, electrical, magnetic, and mechanical properties, those materials attracted great attention. However, it has been hard to elucidate internal structures without fluorescent labelling or cross-sectioning. Here, we demonstrate the structural analysis of not only unary but also binary colloidal crystals using scanning transmission x-ray microscopy and compare the results with colloidal structures and optical properties observed by optical microscopy. Based on the comparison of images obtained by these two methods, the domains of colloidal crystals consisting of different structures and colours were directly identified without any additional sample preparation. Therefore, it was possible to investigate the structural colours of local domains of unary and binary colloidal crystals such as the face centred cubic (FCC) structure with different orientations, that is FCC (111) and FCC (001), and hexagonal close-packed structure, HCP (0001).
Single Ni sites distributed on N-doped carbon for selective hydrogenation of acetylene
Authors: Dai Xinyao , Chen Zheng , Yao Tao , Zheng Lirong , Lin Yue , Liu Wei , Ju Huanxin , Zhu Junfa , Hong Xun , Wei Shiqiang , Wu Yuen , Li Yadong
Published: September 2017

We prepared single Ni atoms embedded in an N-doped carbon catalyst with the assistance of metal organic frameworks.
Conjugated microporous polymers with azide groups: a new strategy for postsynthetic fluoride functionalization and effectively enhanced CO2 adsorption properties
Authors: Cui Di , Yao Chan , Xu Yanhong
Published: September 2017

The different azide group contents incorporated within the pores of the zinc–porphyrin CMPs were subjected to alkyne click conditions via a facile, one-step quantitative procedure, a route that can effectively enhance the CO2 sorption and the adsorption enthalpy of porous materials.
Spray drying for making covalent chemistry II: synthesis of covalent–organic framework superstructures and related composites
Authors: Garzón-Tovar Luis , Avci-Camur Ceren , Rodríguez-San-Miguel David , Imaz Inhar , Zamora Félix , Maspoch Daniel
Published: September 2017

Here we report a method that combines the spray-drying technique with a dynamic covalent chemistry process to synthesize zero-dimensional, spherical and microscale superstructures made from the assembly of imine-based COF nanocrystals.
ZnO nanorod arrays grown on an AlN buffer layer and their enhanced ultraviolet emission
Authors: Ali Amany , Wang DongBo , Wang JinZhong , Jiao ShuJie , Guo FengYun , Zhang Yong , Gao ShiYong , Ni ShiMing , Luan ChunYang , Wang DaiZhe , Zhao LianCheng
Published: September 2017

The ultraviolet luminescence of ZnO nanorods was greatly enhanced through introducing an AlN buffer layer.
Novel amine templated three-dimensional zinc-organophosphonates with variable pore-openings
Authors: Paul Avijit Kumar , Kanagaraj Rajendiran , Jana Ajay Kumar , Maji Pradip K.
Published: September 2017

Amine templated three-dimensional zinc-organophosphates with different ring sizes have been obtained by varying the organic amine molecules. The figure shows the various net structures obtained during the study.
Ultrafast X-ray absorption study of longitudinal–transverse phonon coupling in electrolyte aqueous solution
Authors: Jiao Yishuo , Adams Bernhard W. , Dohn Asmus Ougaard , Møller Klaus B. , Jónsson Hannes , Rose-Petruck Christoph
Published: September 2017

Ultrafast X-ray absorption spectroscopy is applied to study the conversion of longitudinal to transverse phonons in aqueous solution.
Quantum chemical and molecular dynamics modelling of hydroxylated polybrominated diphenyl ethers
Authors: Ermilova Inna , Stenberg Samuel , Lyubartsev Alexander P.
Published: September 2017

A series of 19 hydroxylated polybrominated diphenyl ethers (OH-PBDEs) have been studied using density functional theory (DFT) and molecular dynamics simulations with the purpose of investigating eventual correlations between their physicochemical properties and toxic action.
Ab initio random structure searching of organic molecular solids: assessment and validation against experimental data
Authors: Zilka Miri , Dudenko Dmytro V. , Hughes Colan E. , Williams P. Andrew , Sturniolo Simone , Franks W. Trent , Pickard Chris J. , Yates Jonathan R. , Harris Kenneth D. M. , Brown Steven P.
Published: September 2017

The AIRSS method generates crystal structures for m-aminobenzoic acid; comparison is made to experimental powder X-ray diffraction and MAS NMR.
Collisional excitation of interstellar PO(X2Π) by He: new ab initio potential energy surfaces and scattering calculations
Authors: Lique François , Jiménez-Serra Izaskun , Viti Serena , Marinakis Sarantos
Published: September 2017

The inelastic scattering of PO (X, v = 0) has been investigated by quantum scattering calculations using a new potential energy surface.
First-principles investigation of H2S adsorption and dissociation on titanium carbide surfaces
Authors: Wang Shiyan , Zhang Xilin , Zhang Yanxing , Mao Jianjun , Yang Zongxian
Published: September 2017

The dissociation of H2S (H2S → SH + H → S + H + H) and the hydrogenation reactions of SH (SH + H → H2S).
Catalytic CO2 reduction to valuable chemicals using NiFe-based nanoclusters: a first-principles theoretical evaluation
Authors: Gong Li , Chen Jie-Jie , Mu Yang
Published: September 2017

The catalytic performance and possible mechanisms of CO2 hydrogenation on noble-metal-free NiFe bimetal nanoparticles are theoretically evaluated.
Design and validation of a new ratiometric intracellular pH imaging probe using lanthanide-doped upconverting nanoparticles
Authors: Du Shuoren , Hernández-Gil Javier , Dong Hao , Zheng Xiaoyu , Lyu Guangming , Bañobre-López Manuel , Gallo Juan , Sun Ling-dong , Yan Chun-hua , Long Nicholas J.
Published: September 2017

A ratiometric probe based on upconversion nanoparticles modified with a pH sensitive moiety for the quantitative imaging of pH at the subcellular level in living cells.
One-pot organometallic synthesis of alumina-embedded Pd nanoparticles
Authors: Costa Natália J. S. , Vono Lucas L. R. , Wojcieszak Robert , Teixiera-Neto Érico , Philippot Karine , Rossi Liane M.
Published: September 2017

The decomposition of Pd2(dba)3 by H2 in the presence of Al(iPrO)3 generated a stable Pd colloid, which was easily converted into a composite nanomaterial, namely Al2O3-embedded Pd NPs.
Energy storage properties and relaxor behavior of lead-free Ba1−xSm2x/3Zr0.15Ti0.85O3 ceramics
Authors: Sun Zheng , Li Lingxia , Yu Shihui , Kang Xinyu , Chen Siliang
Published: September 2017

Lead-free Ba1−xSm2x/3Zr0.15Ti0.85O3 (BSZT) ceramics were synthesized by a solid state reaction route.
In situ generation of layered single- or double-hydroxide inorganic platelets (LSH and LDH) assisted by bola amphiphiles
Authors: Langry Arthur , Cellier Joël , Hintze-Bruening Horst , Leroux Fabrice
Published: September 2017

Comparison of mesoscopic ordering between in situ generation versus ex situ dispersion of inorganic (LSH or LDH) platelets assisted by bola amphiphiles.
Biocatalytic synthesis of chiral cyclic γ-oxoesters by sequential C–H hydroxylation, alcohol oxidation and alkene reduction
Authors: Brenna Elisabetta , Crotti Michele , Gatti Francesco G. , Monti Daniela , Parmeggiani Fabio , Pugliese Andrea , Tentori Francesca
Published: September 2017

The conversion of C5 and C6 cycloalkenecarboxylates into both enantiomers of the corresponding cyclic γ-oxoesters is performed at room temperature using three enzymes and no environmentally-unfriendly oxidants.
Multi-functionalization of lithographically designed gold nanodisks by plasmon-mediated reduction of aryl diazonium salts
Authors: Tijunelyte I. , Kherbouche I. , Gam-Derouich S. , Nguyen M. , Lidgi-Guigui N. , de la Chapelle M. Lamy , Lamouri A. , Lévi G. , Aubard J. , Chevillot-Biraud A. , Mangeney C. , Felidj N.
Published: September 2017

Plasmon-mediated multi-functionalization of nanoparticles is presented, in order to achieve the grafting of various chemical groups in distinct nanoscale regions.
A highly elastic and flexible solid-state polymer electrolyte based on ionic liquid-decorated PMMA nanoparticles for lithium batteries
Authors: Li Yang , Wai Wong Ka , Dou Qianqian , Zhang Wei , Wang Lixiang , Ming Ng Ka
Published: September 2017

The highly elastic and flexible solid-state polymer electrolyte exhibits enhanced ionic conductivity, an enhanced lithium ion transference number and a wide electrochemical window.
An approach to high open-circuit voltage polymer solar cells via alcohol/water-soluble cathode interlayers based on anthrathiadiazole derivatives
Authors: Miao Yang , Yang Tong , Cheng Zong , Zhang Yuewei , Zhang Jingying , Wang Yue
Published: September 2017

Two water/alcohol-soluble small molecular cathode interlayers (CILs) were synthesized and employed to fabricate high performance polymer solar cells (PSCs) with a large open-circuit voltage (Voc) of 0.93 V.
Merging orthogonal microfluidic flows to generate multi-profile concentration gradients
Authors: Menachery A. , Kumawat N. , Qasaimeh M. A.
Published: September 2017

This work describes a novel microfluidic device capable of generating multi-profile gradients that include sigmoidal, parabolic, and exponential concentration variations across its main channel.
Fully functional semi-transparent perovskite solar cell fabricated in ambient air
Authors: Rahmany Stav , Layani Michael , Magdassi Shlomo , Etgar Lioz
Published: September 2017

This work presents the fabrication and characterization of semitransparent perovskite-based solar cells by grid deposition in ambient air.
Simple one-pot approach toward robust and boiling-water resistant superhydrophobic cotton fabric and the application in oil/water separation
Authors: Guo Fei , Wen Qiuying , Peng Yubing , Guo Zhiguang
Published: September 2017

A mussel-inspired robust and boiling-water resistant superhydrophobic PDA@SiO2 coated cotton fabric was fabricated by a simple one-pot approach and can be used to separate oil/water mixture.
Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide
Authors: Węcławski Marek K. , Jakešová Marie , Charyton Martyna , Demitri Nicola , Koszarna Beata , Oppelt Kerstin , Sariciftci Serdar , Gryko Daniel T. , Głowacki Eric Daniel
Published: September 2017

Organic small-molecule semiconductors can be photocatalysts in their own right, oxidizing water while reducing oxygen to hydrogen peroxide under visible light illumination.
Furfuryl alcohol modified melamine sponge for highly efficient oil spill clean-up and recovery
Authors: Feng Yi , Wang Yayan , Wang Yaquan , Yao Jianfeng
Published: September 2017

Furfuryl alcohol was used to hydrophobically modify commercial melamine sponge and such a sponge shows excellent oil–water separation performance.
Electronic structure and photocatalytic band offset of few-layer GeP2
Authors: Shojaei Fazel , Hahn Jae Ryang , Kang Hong Seok
Published: September 2017

Based on a sophisticated crystal structure prediction method, we propose two-dimensional (2D) GeP2in the tetragonal (T) phase never observed for other group IV–V compounds.
Improved structural order by side-chain engineering of organic small molecules for photovoltaic applications
Authors: Han T. , Bulut I. , Méry S. , Heinrich B. , Lévêque P. , Leclerc N. , Heiser T.
Published: September 2017

Investigation of the side-chain impact on optoelectronic and structural properties in new low band-gap dumbbell-shaped molecules with high π-stacking abilities.
Unraveling the correlation between oxide-ion motion and upconversion luminescence in β-La2Mo2O9:Yb3+,Er3+ derivatives
Authors: He Qian , Sun Mingzi , Kuang Xiao-jun , Huang Bolong , Ye Shi , Zhang Qin-yuan
Published: September 2017

The upconversion emission of Er3+ in β-La2(Mo,W)2O9 can reveal the short-range thermally-driven jumps and long-range motion of oxide-ions.
Hα imaging observations of early-type galaxies from the ATLAS3D survey
Authors: Gavazzi G. , Consolandi G. , Pedraglio S. , Fossati M. , Fumagalli M. , Boselli A.
Published: September 2017

Context. The traditional knowledge of the mechanisms that brought to the formation and evolution of early type galaxies (ETG) in a hierarchical Universe was challenged by the unexpected finding by ATLAS3D that 86% ETGs show signs of a fast rotating disk at their interior, implying an origin common to most spiral galaxies, followed by a quenching phase, while only a minority of the most massive systems are slow rotators and were likely to be the products of merger events.

Aims. Our aim is to improve our knowledge on the content and distribution of ionised hydrogen and their usage to form stars in a representative sample of ETGs for which the kinematics and detailed morphological classification were known from ATLAS3D.

Methods. Using narrow-band filters centered on the redshifted Hα line along with a broad-band (r-Gunn) filter to recover the stellar continuum, we observed or collected existing imaging observations for 147 ETG (including members of the Virgo cluster), representative of the whole ATLAS3D survey.

Results. 55 ETGs (37%) were detected in the Hα line above our detection threshold (HαEW ≤ −1 Å) and 21 harbour a strong source (HαEW ≤ −5 Å) .

Conclusions. The strong Hα emitters appear associated with mostly low-mass (M* ~ 1010 M⊙) S0 galaxies which contain conspicuous stellar and gaseous disks, harbouring significant star formation at their interior, including their nuclei. The weak Hα emitters are almost one order of magnitude more massive, contain gas-poor disks and harbour an AGN at their centers. Their emissivity is dominated by [NII] and does not imply star formation. The 92 undetected ETGs constitute the majority in our sample and are gas-free systems which lack a disk and exhibit passive spectra even in their nuclei. These pieces of evidence reinforce the conclusion of Cappellari (2016, ARA&A, 54, 597) that the evolution of ETGs followed the secular channel for the less massive systems and the dry merging channel for the most massive galaxies at the center of clusters of galaxies.
Facile Synthesis of Rubicenes by Scholl Reaction
Authors: Toyota Shinji , Kawamura Masahiko , Tsurumaki Eiji
Published: September 2017

The treatment of 9,10-diphenylanthracenes with DDQ in the presence of TfOH readily gave the corresponding rubicene derivatives in good yields. The effects of oxidant, acid, substituent, and other conditions are discussed. This protocol involving the Scholl reaction is convenient for the preparation of some rubicene derivatives from conventional starting materials.
N1-Arylation of 1,4-Benzodiazepine-2-ones with Diaryliodonium Salts
Authors: Khan Raysa , Felix Robert , Kemmitt Paul , Coles Simon , Tizzard Graham , Spencer John
Published: September 2017

A library of N1-arylated 5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-ones has been synthesized starting with unsymmetrical diaryliodonium salts using aqueous ammonia as a base. This can also be applied to a similar 1,3,4-benzotriazepin-2-one derivative.
Toward an Information Infrastructure for Global Health Improvement
Authors: Friedman C. P. , Rubin J. C. , Sullivan K. J.
Published: September 2017

Profound global challenges to individual and population health, alongside the opportunities to benefit from digital technology, have spawned the concept of the Learning Health System. Learning Health Systems (LHSs)--which can function at organizational, network, regional, and national levels of scale--have the capability of continuous data-driven self-study that promotes change and improvement. The LHS concept, which originated in the U.S. in 2007, is rapidly gaining attention around the world. LHSs require, but also transcend, the secondary use of health data. This paper describes the key features of LHSs, argues that effective and sustainable LHSs must be supported by infrastructures that allow them to function with economies of scale and scope, and describes the services that such infrastructures must provide. While it is relatively straightforward to describe LHSs, achieving them at the high level of capability necessary to promote significant health benefits will
require advancements in science and engineering, engaging the field of informatics among a wider range of disciplines. It also follows from this vision that LHSs cannot be built from an imposed blueprint; LHSs will more likely evolve from efforts at smaller scales that compose into larger systems.
Measuring Quality of Healthcare Outcomes in Type 2 Diabetes from Routine Data: a Seven-nation Survey Conducted by the IMIA Primary Health Care Working Group
Authors: Hinton W. , Liyanage H. , McGovern A. , Liaw S.-T. , Kuziemsky C. , Munro N. , de Lusignan S.
Published: September 2017

Background: The Institute of Medicine framework defines six dimensions of quality for healthcare systems: (1) safety, (2) effectiveness, (3) patient centeredness, (4) timeliness of care, (5) efficiency, and (6) equity. Large health datasets provide an opportunity to assess quality in these areas.

Objective: To perform an international comparison of the measurability of the delivery of these aims, in people with type 2 diabetes mellitus (T2DM) from large datasets.

Method: We conducted a survey to assess healthcare outcomes data quality of existing databases and disseminated this through professional networks. We examined the data sources used to collect the data, frequency of data uploads, and data types used for identifying people with T2DM. We compared data completeness across the six areas of healthcare quality, using selected measures pertinent to T2DM management.

Results: We received 14 responses from seven countries (Australia, Canada, Italy, the Netherlands, Norway, Portugal, Turkey and the UK). Most databases reported frequent data uploads and would be capable of near real time analysis of healthcare quality.

The majority of recorded data related to safety (particularly medication adverse events) and treatment efficacy (glycaemic control and microvascular disease). Data potentially measuring equity was less well recorded. Recording levels were lowest for patient-centred care, timeliness of care, and system efficiency, with the majority of databases containing no data in these areas. Databases using primary care sources had higher data quality across all areas measured.

Conclusion: Data quality could be improved particularly in the areas of patient-centred care, timeliness, and efficiency. Primary care derived datasets may be most suited to healthcare quality assessment.
Artroplastia de suspensión dinámica de Scheker en el tratamiento de la artrosis trapeciometacarpiana
Authors: Novoa-Parra C. , Pérez-Correa J. , Pérez-Ortiz S. , Montaner-Alonso D. , Rodrigo-Pérez J. , Morales-Suarez-Varela M.
Published: September 2017

Objetivo Evaluar los resultados clínicos y radiográficos de una serie de pacientes sometidos a una artroplastia de Scheker.

Material y Método Estudio descriptivo de 16 pacientes con artrosis TMC. Se valoró el estado clínico y funcional según el cuestionario DASH, la movilidad del pulgar según la escala de Kapandji y el dolor según la escala visual analógica (EVA). A nivel radiográfico, se cuantificó el colapso del espacio remanente tras la exéresis del trapecio.

Resultados La edad promedio de los pacientes fue 64,9 años, 81% fueron mujeres. El tiempo de seguimiento medio fue de 19 meses. La puntuación DASH preoperatoria fue de 67,68 puntos y postoperatoria 34,88 (p < 0.001). La puntuación EVA preoperatoria fue 8,44 y posoperatoria 1,69, (p < 0.001). La movilidad media del pulgar según Kapandji fue 7, (p < 0.001). Las fuerzas de puño, pinza de precisión y pinza lateral, pasaron de valores medios de 11,94, 3,41 y 3,46 en el preoperatorio, a valores medios de 1,25, 2,44 y 2,34 en el postoperatorio. En todos los casos se observó un cierto grado de colapso (31,38% de promedio) del espacio ocupado por el trapecio. El 87,5% de los pacientes se encontraban satisfechos con la cirugía y volverían a someterse a la misma.

Conclusión La artroplastia descrita por Scheker, es una alternativa quirúrgica que elimina el dolor y preserva la movilidad del pulgar. No evita el colapso del espacio dejado tras la exéresis del trapecio. No hubo diferencia en el resultado clínico entre los pacientes en los que se presentó un colapso leve o moderado.
Bleeding Complications and Mortality in Neonates Receiving Therapeutic Hypothermia and Extracorporeal Membrane Oxygenation
Authors: Lucke Ashley , Hagan Joseph , Kaiser Jeffrey , Cuevas Guaman Milenka
Published: September 2017

Objective The objective of this study was to compare complications and mortality in neonates with hypoxic ischemic encephalopathy (HIE) on extracorporeal membrane oxygenation (ECMO) who did and did not receive therapeutic hypothermia (TH).

Study Design The Extracorporeal Life Support Organization registry was queried from 2005 to 2013 to identified infants with HIE. Infants ≤30 days of age with HIE on respiratory ECMO were included. Fisher's exact test and the Wilcoxon's rank-sum test were used to compare neonates with and without TH. Logistic regression was used to examine the association of TH with complications and mortality.

Results There were no difference between neonates with HIE who did (n = 78) and did not (n = 109) receive TH in demographics, severity of illness, complications, and mortality (p = 0.21).

Conclusion No differences in complications or mortality in neonates with HIE and respiratory ECMO were observed between those who did and did not receive TH. We suggest that for neonates requiring respiratory ECMO who also have HIE, TH is not contraindicated.
Lungenmetastasenchirurgie beim pulmonal metastasierten kolorektalen Karzinom
Authors: Macherey Sascha , Bruns Christiane , Alakus Hakan , Doerr Fabian , Heldwein Matthias , Quaas Alexander , Wahlers Thorsten , Hekmat Khosro
Published: September 2017

Hintergrund Patienten mit kolorektalem Karzinom sind häufig von Leber- und Lungenmetastasen betroffen. Neben Systemtherapien eignet sich für Patienten nach vollständiger Primärtumor- und potenzieller Lebermetastasenresektion die Lungenmetastasenchirurgie als therapeutisches Konzept.

Material und Methoden Es erfolgte eine systematische Literaturrecherche unter Berücksichtigung aller Studien, die ab dem 01. 01. 2010 publiziert worden sind. In die deskriptive Analyse wurden Studien eingeschlossen, die über mindestens 100 Patienten mit Lungenmetastasektomie berichteten und deren Operationszeitraum frühestens am 01. 01. 2000 begann. Aus den Studien wurden operative Daten, Überlebensdaten und Prognosefaktoren extrahiert.

Ergebnisse Elf Studienkohorten mit insgesamt 2891 Patienten konnten in die Analyse eingeschlossen werden. In den meisten Fällen wurde eine vollständige Resektion aller Metastasen erreicht und dabei subsegmentale den anatomischen Resektionsverfahren vorgezogen. Bei 2,3 – 18,2% der Patienten zeigten sich intrathorakale Lymphknotenmetastasen. Die postoperative Mortalität bewegte sich zwischen 0 und 0,5%. Der mediane Nachbeobachtungszeitraum erstreckte sich in den Fallserien von 27,5 bis zu 65,1 Monaten. Die Lungenmetastasenchirurgie war in den Studienkohorten mit 5-Jahres-Überlebensraten von 53 – 75,5% verbunden. Das 5-Jahres-Progressionsfreie-Überleben variierte zwischen 33 und 50,9%. Intrathorakale Rezidive traten in 25,2 – 42,9% der Patienten auf. Die Remetastasektomie resultierte in 5-Jahres-Überlebensraten von 49 – 75,5%. Die Analyse von Prognosemodellen offenbarte, dass die Metastasenanzahl, -größe und -verteilung eine untergeordnete prognostische Relevanz zu besitzen scheinen. Ein erhöhter CEA-Serumspiegel vor Metastasektomie und intrathorakale Lymphknotenmetastasen bedeuteten in mehreren Studien einen prognostischen Nachteil, nichtsdestotrotz können auch diese Patienten von der Lungenmetastasenchirurgie profitieren.

Schlussfolgerungen Für Patienten mit kolorektalem Karzinom und isolierter Lungen- oder kombinierter Leber- und Lungenmetastasierung sollte bei gewährleisteter Resektabilität die Metastasektomie die Therapie der Wahl sein. Die Lungenmetastasenchirurgie sollte durch eine Lymphknotenresektion ergänzt werden, um potenzielle Lymphknotenmetastasen zu entfernen. Patienten mit isolierten intrathorakalen Rezidiven sollte eine Remetastasektomie angeboten werden.
Fears and Concerns of Patients with Uterine Fibroids – a Survey of 807 Women
Authors: Knudsen Nina , Wernecke Klaus-D. , Siedentopf Friederike , David Matthias
Published: September 2017

Study questions What specific fears and concerns do patients with uterine fibroids have? How are these influenced by sociodemographic factors, duration of condition and level of knowledge among these women?

Methods Between January 2016 and January 2017 807 patients were consecutively surveyed at a university hospital speciality fibroid clinic using a two page locally developed and validated questionnaire focusing on fibroid-associated fears and concerns.

Results The questionnaire was completed by 730 women (90.5%) the majority of whom reported fears/concerns mainly with regards to treatment (need to treat/side-effects/hysterectomy) and the fibroids themselves (increasing size and number). Various parameters influenced the type and severity of fears: Young patients (< 40 years) had concerns particularly with regard to pregnancy/birthing while older patients (> 40 years) were more concerned about general health and significant blood loss. Time interval since diagnosis also affected fears with different concerns between patients with shorter duration of diagnosis (< 12 months) vs. longer duration (> 12 months). Overall only slight differences could be attributed to immigrant background. Higher level of education correlated with less anxiety. Proper information about fibroids relieved fears of malignant change in particular. Doctors and the internet were the most important sources of patient information.

Conclusions Due to the benign nature of uterine fibroids and their good treatability, fibroid-associated fears are generally unfounded. Precise knowledge of patient fears and concerns should be integrated into clinical care with targeted psychological support to help patients better understand their condition.
Prevalence and Trends in the Utilization of Gynecological Services by Adolescent Girls in Germany. Results of the German Health Survey for Children and Adolescents (KiGGS)
Authors: Krause Laura , Seeling Stefanie , Prütz Franziska , Rommel Alexander
Published: September 2017

There is only limited data available on the utilization of gynecological services in Germany. Based on data from the German Health Survey for Children and Adolescents (KiGGS) of the Robert Koch Institute, a survey carried out across all of Germany, this study aimed to examine the utilization of gynecological services by girls in Germany. Data from the KiGGS Wave 1 survey (2009 – 2012) was used to analyze the factors which affect utilization. The KiGGS baseline study (2003 – 2006) was used to analyze trends. The database consisted of a subsample from the KiGGS Wave 1 survey (n = 2575), the initial follow-up survey conducted by telephone after the baseline study. Data are shown as prevalence and mean with 95% confidence intervals. Correlations with selected influencing factors were calculated using multivariate logistic regression models. Differences between study populations were considered significant if p < 0.05. At the time of the KiGGS Wave 1 survey, 53.9% of girls aged 14 to 17 years had visited a gynecologist at least once. This percentage increased significantly with each additional year of life. For 61.9% of 17-year-old girls who had previously visited a gynecologist at least once, the first visit to a gynecologist occurred at the age of 15 or 16 years. Growing up with siblings was associated with a lower prevalence of utilization, while middle socioeconomic status, risky alcohol consumption and daily consumption of tobacco, and the utilization of general medical services were associated with a higher 12-month prevalence for the utilization of gynecological services. The utilization of gynecological services has increased significantly compared to the KiGGS baseline survey. Among girls there is a high need for information on issues of sexual health. Gynecologists are important but they are not the only port of call. Information needs should be covered as part of a coordinated approach which includes the involvement of all relevant stakeholders. Initiatives such as the WHO Action Plan for Sexual and Reproductive Health and its recommendations should be incorporated.
Astronomical time-of-flight photon speedometer
Authors: Miller J. B. , Miller T. E. , Hoffert M. J. , Dingle L. A. , Harwell R. , Hayes E.
Published: September 2017

A dual-band, fiber-optic, photon time-of-flight instrument was developed. Its design was optimized for measuring the velocity of visible photons emanating from relatively dim astronomical sources (apparent magnitude m>12), such as distant galaxies and quasars. We report the first direct photon group velocity measurements for extragalactic objects. The photon group velocity is found to be 3.00±0.03×108 ms−1 and is invariant, within experimental error, over the range of redshifts measured (0≤z≤1.33). This measurement provides additional validation of general relativity and is consistent with the Friedmann-Lemaître-Robertson-Walker and hyperbolic anti-de Sitter metrics but not with the elliptical de Sitter metric.
Single walled carbon nanotube-based stochastic resonance device with molecular self-noise source
Authors: Fujii Hayato , Setiadi Agung , Kuwahara Yuji , Akai-Kasaya Megumi
Published: September 2017

Stochastic resonance (SR) is an intrinsic noise usage system for small-signal sensing found in various living creatures. The noise-enhanced signal transmission and detection system, which is probabilistic but consumes low power, has not been used in modern electronics. We demonstrated SR in a summing network based on a single-walled carbon nanotube (SWNT) device that detects small subthreshold signals with very low current flow. The nonlinear current-voltage characteristics of this SWNT device, which incorporated Cr electrodes, were used as the threshold level of signal detection. The adsorption of redox-active polyoxometalate molecules on SWNTs generated additional noise, which was utilized as a self-noise source. To form a summing network SR device, a large number of SWNTs were aligned parallel to each other between the electrodes, which increased the signal detection ability. The functional capabilities of the present small-size summing network SR device, which rely on dense nanomaterials and exploit intrinsic spontaneous noise at room temperature, offer a glimpse of future bio-inspired electronic devices.
In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force
Authors: Menichetti Roberto , Kanekal Kiran H. , Kremer Kurt , Bereau Tristan
Published: September 2017

The partitioning of small molecules in cell membranes—a key parameter for pharmaceutical applications—typically relies on experimentally available bulk partitioning coefficients. Computer simulations provide a structural resolution of the insertion thermodynamics via the potential of mean force but require significant sampling at the atomistic level. Here, we introduce high-throughput coarse-grained molecular dynamics simulations to screen thermodynamic properties. This application of physics-based models in a large-scale study of small molecules establishes linear relationships between partitioning coefficients and key features of the potential of mean force. This allows us to predict the structure of the insertion from bulk experimental measurements for more than 400 000 compounds. The potential of mean force hereby becomes an easily accessible quantity—already recognized for its high predictability of certain properties, e.g., passive permeation. Further, we demonstrate how coarse graining helps reduce the size of chemical space, enabling a hierarchical approach to screening small molecules.
Oxygen migration enthalpy likely limits oxide precipitate dissolution during tabula rasa
Authors: Looney E. E. , Laine H. S. , Youssef A. , Jensen M. A. , LaSalvia V. , Stradins P. , Buonassisi T.
Published: September 2017

In industrial silicon solar cells, oxygen-related defects lower device efficiencies by up to 20% (rel.). In order to mitigate these defects, a high-temperature homogenization anneal called tabula rasa (TR) that has been used in the electronics industry is now proposed for use in solar-grade wafers. This work addresses the kinetics of tabula rasa by elucidating the activation energy governing oxide precipitate dissolution, which is found to be 2.6 ± 0.5 eV. This value is consistent within uncertainty to the migration enthalpy of oxygen interstitials in silicon, implying TR to be kinetically limited by oxygen point-defect diffusion. This large activation energy is observed to limit oxygen precipitate dissolution during standard TR conditions, suggesting that more aggressive annealing conditions than conventionally used are required for complete bulk microdefect mitigation.
The role of photoionization in negative corona discharge: The influences of temperature, humidity, and air pressure on a corona
Authors: Sun H. Y. , Lu B. X. , Wang M. , Guo Q. F. , Feng Q. K.
Published: September 2017

The swarm parameters of the negative corona discharge are improved to calculate the discharge model under different environmental conditions. The effects of temperature, humidity, and air pressure are studied using a conventional needle-to-plane configuration in air. The electron density, electric field, electron generation rate, and photoelectron generation rate are discussed in this paper. The role of photoionization under these conditions is also studied by numerical simulation. The photoelectrons generated in weak ionization region are proved to be dominant.
Microwave imaging of spinning object using orbital angular momentum
Authors: Liu Kang , Li Xiang , Gao Yue , Wang Hongqiang , Cheng Yongqiang
Published: September 2017

The linear Doppler shift used for the detection of a spinning object becomes significantly weakened when the line of sight (LOS) is perpendicular to the object, which will result in the failure of detection. In this paper, a new detection and imaging technique for spinning objects is developed. The rotational Doppler phenomenon is observed by using the microwave carrying orbital angular momentum (OAM). To converge the radiation energy on the area where objects might exist, the generation method of OAM beams is proposed based on the frequency diversity principle, and the imaging model is derived accordingly. The detection method of the rotational Doppler shift and the imaging approach of the azimuthal profiles are proposed, which are verified by proof-of-concept experiments. Simulation and experimental results demonstrate that OAM beams can still be used to obtain the azimuthal profiles of spinning objects even when the LOS is perpendicular to the object. This work remedies the insufficiency in existing microwave sensing technology and offers a new solution to the object identification problem.
Polarization state evolution in spun birefringent optical fibers
Authors: Przhiyalkovsky Y. V. , Vasiliev S. A. , Medvedkov O. I. , Morshnev S. K. , Dianov E. M.
Published: September 2017

The evolution of the polarization state (PS) of radiation propagating in spun or twisted birefringent optical fibers is considered for a wide range of fiber parameters, and presented in a descriptive way using the Poincaré sphere. The effects of the bandwidth and the polarization state of input radiation, of the external magnetic field, and of the fiber bending on the polarization state evolution have been described for the most practical cases. An explanation of how the helical structure of the built-in linear birefringence in spun fibers provides the existence of the helical elliptically-polarized eigenmodes has been given. In spun fibers with a relatively large spin rate, the PS evolution is shown to change its azimuthal direction.
Role of slip on the linear stability of a liquid flow through a porous channel
Authors: Samanta Arghya
Published: September 2017

The linear stability of a liquid flow bounded by slippery and porous walls is studied for infinitesimal disturbances of arbitrary wavenumbers. The Orr-Sommerfeld type eigenvalue problem is formulated by using the normal mode decomposition and resolved based on the Chebyshev spectral collocation method along with the QZ algorithm. The results are computed numerically in detail for various values of the flow parameters. The presence of an upper wall slip shows a destabilizing effect on the fluid layer mode, but it shows a stabilizing effect on the porous layer mode. On the other hand, the decreasing value of the depth ratio has a stabilizing effect on the fluid layer mode but it has a destabilizing effect on the porous layer mode. In fact, there occurs a competition between the most unstable porous layer mode and the most unstable fluid layer mode to control the primary instability. The most unstable porous layer mode triggers the primary instability unless the upper wall slip dominates the effect of the porous layer otherwise the most unstable fluid layer mode triggers the primary instability. A new phase boundary is detected in the plane of the depth ratio and slip length, which separates the domain of the most unstable porous layer mode from the domain of the most unstable fluid layer mode.
A mode-coupling theory analysis of the observed diffusion anomaly in aqueous polyatomic ions
Authors: Banerjee Puja , Bagchi Biman
Published: September 2017

In contrast to simple monatomic alkali and halide ions, complex polyatomic ions such as nitrate, acetate, nitrite, and chlorate have not been studied in any great detail. Experiments have shown that diffusion of polyatomic ions exhibits many remarkable anomalies; notable among them is the fact that polyatomic ions with similar size show large difference in their diffusivity values. This fact has drawn relatively little interest in scientific discussions. We show here that a mode-coupling theory can provide a physically meaningful interpretation of the anomalous diffusivity of polyatomic ions in water, by including the contribution of rotational jumps on translational friction. The two systems discussed here, namely, aqueous nitrate ion and aqueous acetate ion, although have similar ionic radii, exhibit largely different diffusivity values due to the differences in the rate of their rotational jump motions. We have further verified the mode-coupling theory formalism by comparing it with experimental and simulation results that agree well with the theoretical prediction.
Cold collisions of SH− with He: Potential energy surface and rate coefficients
Authors: Bop C. T. , Trabelsi T. , Hammami K. , Mogren Al Mogren M. , Lique F. , Hochlaf M.
Published: September 2017

Collisional energy transfer under cold conditions is of great importance from the fundamental and applicative point of view. Here, we investigate low temperature collisions of the SH− anion with He. We have generated a three-dimensional potential energy surface (PES) for the SH−(X1Σ+)–He(1S) van der Waals complex. The ab initio multi-dimensional interaction PES was computed using the explicitly correlated coupled cluster approach with simple, double, and perturbative triple excitation in conjunction with the augmented-correlation consistent-polarized valence triple zeta Gaussian basis set. The PES presents two minima located at linear geometries. Then, the PES was averaged over the ground vibrational wave function of the SH− molecule and the resulting two-dimensional PES was incorporated into exact quantum mechanical close coupling calculations to study the collisional excitation of SH− by He. We have computed inelastic cross sections among the 11 first rotational levels of SH− for energies up to 2500 cm−1. (De-)excitation rate coefficients were deduced for temperatures ranging from 1 to 300 K by thermally averaging the cross sections. We also performed calculations using the new PES for a fixed internuclear SH− distance. Both sets of results were found to be in reasonable agreement despite differences existing at low temperatures confirming that accurate predictions require the consideration of all internal degrees of freedom in the case of molecular hydrides. The rate coefficients presented here may be useful in interpreting future experimental work on the SH− negative ion colliding with He as those recently done for the OH−–He collisional system as well as for possible astrophysical applications in case SH− would be detected in the interstellar medium.
What happens in Josephson junctions at high critical current densities
Authors: Massarotti D. , Stornaiuolo D. , Lucignano P. , Caruso R. , Galletti L. , Montemurro D. , Jouault B. , Campagnano G. , Arani H. F. , Longobardi L. , Parlato L. , Pepe G. P. , Rotoli G. , Tagliacozzo A. , Lombardi F. , Tafuri F.
Published: September 2017

The impressive advances in material science and nanotechnology are more and more promoting the use of exotic barriers and/or superconductors, thus paving the way to new families of Josephson junctions. Semiconducting, ferromagnetic, topological insulator and graphene barriers are leading to unconventional and anomalous aspects of the Josephson coupling, which might be useful to respond to some issues on key problems of solid state physics. However, the complexity of the layout and of the competing physical processes occurring in the junctions is posing novel questions on the interpretation of their phenomenology. We classify some significant behaviors of hybrid and unconventional junctions in terms of their first imprinting, i.e., current-voltage curves, and propose a phenomenological approach to describe some features of junctions characterized by relatively high critical current densities Jc. Accurate arguments on the distribution of switching currents will provide quantitative criteria to understand physical processes occurring in high-Jc junctions. These notions are universal and apply to all kinds of junctions.
From single SQUID to superconducting quantum arrays
Authors: Kornev V. K. , Kolotinskiy N. V. , Sharafiev A. V. , Soloviev I. I. , Mukhanov O. A.
Published: September 2017

Superconducting quantum arrays (SQAs) capable of providing highly linear voltage response to magnetic signal and high dynamic range have been suggested and developed. Base elements of the arrays, quantum cells, were devised and studied in detail. Using niobium process, SQAs with different number of the cells and prototypes of the SQA-based broadband active electrically small antennas were fabricated and tested.
Evolution of non-collinear magnetic state of exchange biased ferromagnet/normal metal/ferromagnet/superconductor heterostructure in magnetic field studied by polarized neutron reflectometry
Authors: Khaydukov Yu. , Morari R. , Zdravkov V. , Mustafa L. , Keller T. , Keimer B. , Sidorenko A.
Published: September 2017

By using waveguide enhanced polarized neutron reflectometry we have characterized the magnetic state of exchange biased CoOx(20 nm)/Co(4 nm)/Nb(5 nm)/Co(2 nm)/Nb(25 nm)/Al2O3 system. Measurement allowed to determine the dependence of the inclination angles of magnetic moment of the both Co layers as a function of applied field. According to the measurement the soft Co(2 nm) layer magnetization turns towards external field in magnetic fields as small as 20 Oe. In contrast direction of magnetic moment of Co(4 nm) layer cannot be altered in magnetic fields as high as 2 kOe.
Charge transport in superconducting MoRe–Si(W)–MoRe heterostructures with hybrid semiconductor barrier containing metal nanoclusters
Authors: Shaternik V. E. , Shapovalov A. P. , Suvorov O. Yu.
Published: September 2017

Thin-film MoRe–Si(W)–MoRe heterostructures consisting of superconducting electrodes (molybdenum-rhenium alloy) and a hybrid semiconductor tunnel barrier consisting of a nanosized silicon layer with tungsten nanoclusters were fabricated and experimentally studied. Current-voltage characteristics of the heterostructures were measured in a wide voltage range from −900 to 900 mV and at temperatures from 4.2 to 8 K, under applied magnetic fields and microwave irradiation. We argue that the temperature dependences of the superconducting critical current and normal-state resistance of the heterostructures might indicate the presence of Coulomb blockade regime, resonant tunneling and resonant-percolation transport mechanism in the junctions, depending on the tungsten content in the hybrid barrier and the applied bias voltage. The measured characteristics suggest that for the superconducting current exceeding some critical value, the phase-slip centers of the superconducting order parameter are formed in the tungsten clusters.
Thread bonds in molecules
Authors: Ivlev B.
Published: September 2017

Unusual chemical bonds are proposed. Each bond is characterized by the thread of a small radius, 10−11 cm, extended between two nuclei in a molecule. An analogue of a potential well, of the depth of MeV scale, is formed within the thread. This occurs due to the local reduction of zero point electromagnetic energy. This is similar to formation of the Casimir well. The electron–photon interaction only is not sufficient for formation of thread state. The mechanism of electron mass generation is involved in the close vicinity, 10−16 cm, of the thread. Thread bonds are stable and cannot be created or destructed in chemical or optical processes.
On massive photons inside a superconductor as follows from London and Ginzburg-Landau theory
Authors: de Bruyn Ouboter R. , Omelyanchouk A. N.
Published: September 2017

A phenomenological derivation in the frame of London's and Ginzburg-Landau theories is given that photons behave inside a superconductor as if they have mass.