bluuebunny/crossref_metadata_2025 huggingface dataset:
Microfluidic Encapsulation of Prickly Zinc‐Doped Copper Oxide Nanoparticles with VD1142 Modified Spermine Acetalated Dextran for Efficient Cancer Therapy
Authors: Zhang Hongbo , Liu Dongfei , Wang Liang , Liu Zehua , Wu Runrun , Janoniene Agne , Ma Ming , Pan Guoqing , Baranauskiene Lina , Zhang Linlin , Cui Wenguo , Petrikaite Vilma , Matulis Daumantas , Zhao Hongxia , Pan Jianming , Santos Hélder A.
Published: March 2017

Structural features of nanoparticles have recently been explored for different types of applications. To explore specific particles as nanomedicine and physically destroy cancer is interesting, which might avoid many obstacles in cancer treatment, for example, drug resistance. However, one key element and technical challenge of those systems is to selectively target them to cancer cells. As a proof‐of‐concept, Prickly zinc‐doped copper oxide (Zn–CuO) nanoparticles (Prickly NPs) have been synthesized, and subsequently encapsulated in a pH‐responsive polymer; and the surface has been modified with a novel synthesized ligand, 3‐(cyclooctylamino)‐2,5,6‐trifluoro‐4‐[(2‐hydroxyethyl)sulfonyl] benzenesulfonamide (VD1142). The Prickly NPs exhibit very effective cancer cell antiproliferative capability. Moreover, the polymer encapsulation shields the Prickly NPs from unspecific nanopiercing and, most importantly, VD1142 endows the engineered NPs to specifically target to the carbonic anhydrase IX, a transmembrane protein overexpressed in a wide variety of cancer tumors. Intracellularly, the Prickly NPs disintegrate into small pieces that upon endosomal escape cause severe damage to the endoplasmic reticulum and mitochondria of the cells. The engineered Prickly NP is promising in efficient and targeted cancer treatment and it opens new avenue in nanomedication.
Superwetting Porous Materials for Wastewater Treatment: from Immiscible Oil/Water Mixture to Emulsion Separation
Authors: Zhang Weifeng , Liu Na , Cao Yingze , Lin Xin , Liu Yanan , Feng Lin
Published: March 2017

Recently, large quantities of oily wastewater discharged from our daily life and industries have caused serious environmental problems. In addition, frequent oil spill accidents occurred all over the world have also lead to a waste of precious resources. Oil/water separation has become a worldwide challenge for us to overcome. Nowadays, superwetting materials have attracted considerable attention. Among them, porous materials with special wettability are more popular since this kind of materials is easy to fabricate, cost saving and time saving. Moreover, by combining the design of special wettability with the proper pore size, the porous materials could achieve the separation of sundry oil/water mixtures including immiscible oil/water mixtures and stabilized emulsions. In this review, we summarized two types of superwetting porous materials for immiscible oil/water mixtures separation and emulsion separation: water blocking porous materials with superhydrophobic/superoleophilic wettability and oil blocking porous materials with superhydrophilic/underwater superoleophobic wettability. In each type, we introduce the mechanism, fabricating process, effects of oily wastewater treatment and the representative works in detail. Moreover, the smart controllable superwetting porous materials and the wastewater treatment of other pollutants are also introduced briefly.
Regiocontrolled Direct C−H Arylation of Indoles at the C4 and C5 Positions
Authors: Yang Youqing , Gao Pan , Zhao Yue , Shi Zhuangzhi
Published: March 2017

An effective and practical strategy has been established for the direct and site‐selective arylation of indoles at the C4 and C5 positions with the aid of a readily accessible, cheap, and removable pivaloyl directing group at the C3 position. This transformation shows good functional‐group tolerance and could serve as a powerful synthetic tool for the synthesis of medicinally relevant compounds. This method and those developed in previous research together enable the regiocontrolled direct arylation of indole at each C−H bond without prefunctionalization of the reactive sites.
C=C π Bond Modified Graphitic Carbon Nitride Films for Enhanced Photoelectrochemical Cell Performance
Authors: Bian Juncao , Xi Lifei , Li Jianfu , Xiong Ze , Huang Chao , Lange Kathrin M. , Tang Jinyao , Shalom Menny , Zhang Rui‐Qin
Published: March 2017

Applications of graphitic carbon nitride (g‐CN) in photoelectrochemical and optoelectronic devices are still hindered due to the difficulties in synthesis of g‐CN films with tunable chemical, physical and catalytic properties. Herein we present a general method to alter the electronic and photoelectrochemical properties of g‐CN films by annealing. We found that N atoms can be removed from the g‐CN networks after annealing treatment. Assisted by theoretical calculations, we confirm that upon appropriate N removal, the adjacent C atoms will form new C=C π bonds. Detailed calculations demonstrate that the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) are located at the structure unit with C=C π bonds and the electrons are more delocalized. Valence band X‐ray photoelectron spectroscopy spectra together with optical absorption spectra unveil that the structure changes result in the alteration of the g‐CN energy levels and position of band edges. Our results show that the photocurrent density of the annealed g‐CN film is doubled compared with the pristine one, thanks to the better charge separation and transport within the film induced by the new C=C π bonds. An ultrathin TiO2 film (2.2 nm) is further deposited on the g‐CN film as stabilizer and the photocurrent density is kept at 0.05 mA cm−2 at 1.23 V versus reversible hydrogen electrode after two‐cycle stability assessment. This work enables the applications of g‐CN films in many electronic and optoelectronic devices.
L‐Step Reachability and Observability of Networked Control Systems with Bandwidth Limitations: Feasible Lower Bounds on Communication Periods
Authors: Share Pasand Mohammad Mahdi , Montazeri Mosen
Published: March 2017

Conditions for l‐step reachability and observability of a networked control system subject to bandwidth limitations are given. Short feasible lower bounds for a communication sequence period resulting in a l‐step reachable (observable) networked control system are derived without assuming any condition on the plant eigenvalues/eigenvectors. Though larger than some previously reported results, the established lower bounds do not require additional constraints on system eigenvalues. The proposed results cover systems with bandwidths equal to or greater than unity. Some further remarks on short feasible lower bounds in the case of non‐invertible state matrices, the relation between admissibility of communication sequences and structural properties of the zero order hold system state space description, and the connection between observability in zero order hold and reset to zero cases are drawn as well. A numerical example is included for clarification and comparison.
Discrete‐Time Super‐Twisting Guidance Law with Actuator Faults Consideration
Authors: He Shaoming , Wang Wei , Wang Jiang
Published: March 2017

This paper proposes a robust fault‐tolerant guidance law against unknown maneuvering targets based on discrete‐time sliding mode control theory. To address this problem, a time‐delay observer is designed to estimate the lumped disturbance, which includes target maneuver as well as actuator faults. A robust discrete‐time guidance law is then synthesized based on the discrete‐time super‐twisting algorithm. Due to the principle of the super‐twisting algorithm, the presented guidance law is a naturally chattering‐free formulation. Detailed stability analysis shows that the line‐of‐sight angular rate under the proposed guidance law can be stabilized in a small region around zero. Simulation results are also provided to verify the effectiveness of the proposed approach.
Stellar X‐ray accretion signatures
Authors: Schneider P. C. , Günther H. M. , Robrade J.
Published: March 2017

Accretion is observed in a wide range of objects with partially overlapping properties. In this paper, we focus on accretion in young stars. Material impacting the stellar surface is shock‐heated to temperatures of a few 106 K (MK), which is ideally suited for observations in the X‐ray regime. Indeed, young, accreting stars show a surplus of cool plasma, thought to be somehow related to accretion, the so‐called soft excess. High‐resolution grating spectroscopy with instruments like the Reflection Grating Spectrometer (RGS) on board XMM‐Newton allows us to infer the properties of this cool plasma. We present results from our recent 250‐ks XMM‐Newton/Chandra program targeting the prototypical T Tau system and compare them with other accreting systems, focusing on potentially different accretion modes. We find a strong cool excess in T Tau but line ratios indicative of low densities. Thus, the cool excess in T Tau, and likely in other accreting stars, is not caused directly by postshock emission from accretion spots, which are expected in magnetic stars like T Tau. Rather, the coolest plasma might be linked to other processes in accreting stars, such as an interaction of the corona with postshock plasma.
Variations of stereotypies in individuals with Rett syndrome: A nationwide cross‐sectional study in Taiwan
Authors: Chin Wong Lee , Hung Pi‐Lien , Jan Tz‐Yun , Lee Wang‐Tso ,   Taiwan Rett Syndrome Association
Published: March 2017

Individuals with Rett syndrome (RTT) can have variable manifestations of stereotypies. In this nation‐wide cross‐sectional study, we recruited all individuals with RTT in Taiwan diagnosed as RTT by neurologists based on genetic findings and diagnostic criteria. The data were collected using questionnaire. A total 43 cases of typical RTT and 15 cases of atypical RTT, aged from 2.1 to 40.1 years, were enrolled. They included 3 (5.2%) in stage II, 42 (72.4%) in stage III, and 13 (22.4%) in stage IV. All individuals presented with at least one stereotypy. Individuals with atypical RTT had more varied stereotypies (mean: 14 ± 6) compared to those with typical RTT (mean: 9 ± 5) (P = 0.003). Flapping (73.3%) and wringing (58.1%) were the most common hand stereotypies in atypical and typical RTT, respectively. Compared with typical RTT, hair pulling, bruxism, retropulsion, and protrusion of lips were more common in atypical RTT (P = 0.003, P = 0.006, P = 0.003 and <0.001, respectively). The number of stereotypies did not differ among different stages, clinical severities, and hand functions. Although there were no age‐related changes in stereotypies in atypical RTT, flapping (P = 0.012), clapping (P = 0.044), and mouthing with single hand (P = 0.009) were significantly more prevalent in individuals aged <10 years with typical RTT, and they decreased after 10 years. In conclusion, our study showed that the stereotypical movements varied in typical and atypical RTT, implying the heterogeneous nature of the disease and the pathogenic mechanisms of RTT with atypical features. Autism Res 2017. © 2017 International Society for Autism Research, Wiley Periodicals, Inc. Autism Res 2017, 10: 1204–1214. © 2017 International Society for Autism Research, Wiley Periodicals, Inc.
A case of efficacy of bendamustine in heavily pretreated multiple myeloma, refractory to pomalidomide
Authors: Cerchione Claudio , Nappi Davide , Di Perna Maria , Zacheo Irene , Migliaccio Ilaria , Salvatore Dalila , Picardi Marco , Pane Fabrizio , Catalano Lucio
Published: March 2017

Key Clinical Message

In this report, we would like to highlight the efficacy of bendamustine in a heavily pretreated patient, also refractory to pomalidomide. It is conceivable that different therapy combinations in heavily treated Multiple myeloma (MM) have to be explored, without “a priori” exclusion of ancient drugs, even after failure of the ultimate pharmacological options.
Facile Approaches to Phosphorescent Bis(cyclometalated) Pentafluorophenyl PtIV Complexes: Photophysics and Computational Studies
Authors: Giménez Nora , Lara Rebeca , Moreno M. Teresa , Lalinde Elena
Published: March 2017

A convenient and general strategy for the synthesis of stable bis(cyclometalated) pentafluorophenyl PtIV complexes fac‐[Pt(C^N)2(C6F5)Cl] (3 a–f) and mer‐[Pt(C^N)2(C6F5)(CN)] (4 c,d) has been developed. Complexes 3 were selectively generated by low‐temperature oxidation of the cyclometalated PtII complexes [Pt(C^N)(HC^N)(C6F5)] 2 [prepared from cis‐[Pt(C6F5)2(HC^N)2] (1) intermediates] with PhICl2 and subsequent metalation of the pendant HC^N ligand. Complexes 3 a,b were also alternatively generated by irradiation (Hg lamp, 400 W) of complexes 2 a,b, respectively, in CH2Cl2. This latter reaction proceeds via the hydride PtIV species cis‐[Pt(C^N)2(C6F5)H], detected as the only intermediate species. The molecular structures of 1 a,d, 2 a, and 3 a,b,d,e were confirmed by X‐ray diffraction. The substitution of Cl− by CN− in fac‐[Pt(C^N)2(C6F5)Cl] [C^N=2‐phenylbenzothiazole (3 c), 2‐(4‐bromophenyl)benzothiazole (3 d)] evolved with isomerization to give rise to the isomers (OC‐6–42)‐[Pt(C^N)2(C6F5)(CN)] (4 c, 4 d) having a mer disposition of the cyclometalated and C6F5 groups (X‐ray, 4 c). All the complexes are luminescent and their electronic spectra have been compared and interpreted with the aid of time‐dependent DFT calculations.
Asymmetric Arylative Dearomatization of β‐Naphthols Catalyzed by a Chiral Phosphoric Acid
Authors: Li Xiao‐Qiang , Yang Hui , Wang Jiao‐Jiao , Gou Bo‐Bo , Chen Jie , Zhou Ling
Published: March 2017

An enantioselective arylative dearomatization reaction of β‐naphthols with quinone monoimides has been developed for the first time using a chiral phosphoric acid as the catalyst, the desired enantioenriched cyclohexadienones were prepared with excellent yields and enantioselectivities by a domino Michael addition and aromatization process (up to 99 % yield, up to 98 % ee). This process is operationally simple and readily scaled up, as well as a broad substrate scope which includes 1‐substituted‐2‐naphthols with/without 3‐substituents. Furthermore, this organocatalytic procedure allows the lowering of catalyst loading to 0.5 mol % without considerable loss in reactivity and enantioselectivity.
COSY‐ und HSQC‐NMR‐Spektroskopie
Authors: Findeisen Matthias , Siehl Hans Ullrich , Berger Stefan
Published: March 2017

Der gegenwärtige Stand der Routine 2D COSY‐ und HSQC‐NMR Spektroskopie wird geschildert. Nach einer knappen Einführung in die zu Grunde liegende Theorie des 2D‐NMR werden die Pulssequenzen für COSY und HSQC erläutert. Anhand eines Beispiels aus der Naturstoffchemie wird die Vorgehensweise bei der Analyse dieser Spektren erläutert.
QM/MM(ABEEM) Study on the Ligand Substitution Processes of Ruthenium(III) Complex NAMI‐A
Authors: Li Hui , Sun Ting‐Ting , Zhang Chao , Liu Linlin , Zhao Dongxia , Yang Zhongzhi
Published: March 2017

QM combined with ABEEMσπ (atom‐bond electronegativity equalization method) fluctuating charge polarizable force field [QM/MM(ABEEM)] has been employed to investigate the hydrolysis mechanism of ruthenium(III) complex NAMI‐A. Eleven possible hydrolysis paths of NAMI‐A and its hydrolysates have been unveiled. Structures obtained by QM/MM (ABEEM) method were used to calculate the activation free energy by free energy perturbation theory. Based on analysis of structures and activation free energies, it is found that the rate of DMSO dissociation is faster than that of Cl− dissociation in the first step, which is in agreement with experimental results. Hydrolysates of the first step continue to hydrolyze with lower activation free energies than that of the first hydrolysis step, but the trans‐position Cl− hydrolysis in the second step needs more time to perform. This can account for experimental phenomenon reasonably. We have simulated further hydrolysis paths of the hydrolysates, then found that both Cl− dissociation and DMSO dissociation take place in the third hydrolysis step and [RuCl(H2O)4(Im)]2+ is the main solute in aqueous solution after the fourth hydrolysis step.
Silent atrial fibrillation: epidemiology, diagnosis, and clinical impact
Authors: Dilaveris Polychronis E. , Kennedy Harold L.
Published: March 2017

Silent or subclinical asymptomatic atrial fibrillation (SAF) has currently gained wide interest in the epidemiologic, neurologic, and cardiovascular communities. It is well known that the electrophysiological and mechanical effects of symptomatic and silent atrial fibrillation (AF) are the same. It is probable that because “AF begets AF,” progression from paroxysmal to persistent or permanent AF might be more rapid in patients with long‐term unrecognized and untreated SAF, because no treatment is sought by or provided to such patients. Moreover, SAF is common and has significant clinical implications. The clinical consequences of SAF, which include emboli (silent or symptomatic), heart failure, and early mortality, are of paramount importance. Consequently, SAF should be considered in estimating the prevalence of the disease and its impact on morbidity, mortality, and quality of life. Several diagnostic methods of arrhythmia detection utilizing the surface electrocardiogram (ECG), subcutaneous ECG, or intracardiac devices have been utilized to seek meaningful arrhythmic markers of SAF. Whereas a wide range of clinical risk factors of SAF have been validated in the literature, there is an ongoing search for those arrhythmic risk factors that precisely identify and prognosticate outcome events in diverse populations at risk of SAF. Modern diagnostic modalities for the identification of SAF exist, but should be further explored, validated, and tailored to each patient needs. The scientific community should undertake the clinical challenge of identifying and treating SAF.
Effect of Communication Quality Degradation on Web Usability over 6to4 Networks
Authors: MIZOGUCHI TOMOHIKO , ITO YOSHIHIRO , KOYASHIKI RYO
Published: March 2017

This paper evaluates effect on the overheads caused by 6to4 tunneling on QoE for Web services by experiment. The authors consider Web usability as QoE and treat three actual Web services which support both of the IPv4 Internet and the IPv6 Internet. The results show that the effect of QoS degradation caused by 6to4 on Web usability depends on the Web service. According to Web service, QoE degradation caused by 6to4 does not always occur.
Fabrication of Metamaterial Absorbers in THz Region and Evaluation of the Absorption Characteristics
Authors: ISHII YUTA , TAKIDA YUMA , KANAMORI YOSHIAKI , MINAMIDE HIROAKI , HANE KAZUHIRO
Published: March 2017

Metamaterial absorbers with various sizes were experimentally demonstrated in the terahertz frequency region, and their absorption characteristics were evaluated. They consist of an Au ground plate, a polyimide layer, and Au metamaterial structures. Two types of metamaterial absorbers with crossed shapes and cut‐wire shapes were fabricated, respectively. For both types of metamaterials absorbers, 90% of absorption was experimentally obtained around 1.5 THz frequencies.
Surface‐Enhanced Raman Spectroscopy Analysis Device with Gold Nanoparticle Arranged Nanochannel
Authors: TAKESHITA TOSHIMITSU , SUEKUNI KEISUKE , AIBA KIYOHITO , SUGANO KOJI , ISONO YOSHITADA
Published: March 2017

A micro/nanofluidic device containing linearly arranged gold nanoparticles embedded in nanochannels was developed for highly sensitive surface‐enhanced Raman spectroscopy (SERS). The Si nanochannel array was fabricated using a photolithography‐based process. Synthesized colloidal particles of mean diameter 100 nm were arranged linearly in the nanochannels, using a nanotrench‐guided self‐assembly process. The particle geometry provides significant Raman enhancement by matching the polarization direction of the incident light to the connection direction of the particles. The SERS spectrum was obtained from 1‐mM 4,4’‐bipyridine solution using the fabricated micro/nanofluidic SERS device. The directionally arranged particles showed the same polarization angle dependency as the simulated result. The molecule was detected from 10‐pM solution using the particle arrangement. We confirmed that the particle arrangement was appropriate for highly sensitive SERS.
Performance of PM Motor Driven by PWM Inverter with Voltage Booster Using Both Flux Weakening Control and DC Link Voltage Control
Authors: IMAKIIRE AKIHIRO , YAMAMOTO KICHIRO , HIKITA MASAYUKI
Published: March 2017

In this paper, a driving method for an interior permanent magnet (IPM) motor is proposed; this method increases the system efficiency in the constant power region. In the driving method, the pulse width modulation inverter with a voltage booster system allows the use of both flux weakening control (FWC) and dc link voltage control (DVC) to drive an IPM motor at high speed. The authors investigate how a combination of FWC and DVC is suitable for the system. First, a simulation model is introduced. This model allows the calculation of the system efficiency and each part of the system losses in the voltage booster, inverter, and IPM motor. Furthermore, the system efficiency is calculated using the simulation model, and the simulation results are discussed when the ratio between the FWC and the DVC is changed. The IPM motor drive method is expected to help achievement of high efficiency by adjusting the ratio between the two control methods in the constant power region.
Design for Electromagnetic Device by Multiobjective Optimization using Genetic Programming
Authors: ISHIKAWA KOTA , KITAGAWA WATARU , TAKESHITA TAKAHARU
Published: March 2017

This paper presents a multiobjective optimization using genetic programming (GP). In this method, an analysis model is regarded as a tree structure. This tree structure is divided into polygons and material information. Therefore, this method can be applied GP. Additionally, authors take into consideration about shape complexity. The target of electromagnetic device is an interior permanent magnetic synchronous motor (IPMSM). This method optimizes flux barriers in IPMSM by two‐dimensional finite element method. The purpose of this paper is an investigation of design optimization by multiobjective optimization. Authors reveal the Pareto optimal solutions of characteristics for average torque and torque ripple of IPMSM.
Interactive effects of genotype and food quality on consumer growth rate and elemental content
Authors: Prater Clay , Wagner Nicole D. , Frost Paul C.
Published: March 2017

Consumer body stoichiometry is a key trait that links organismal physiology to population and ecosystem‐level dynamics. However, as elemental composition has traditionally been considered to be constrained within a species, the ecological and evolutionary factors shaping consumer elemental composition have not been clearly resolved. To this end, we examined the causes and extent of variation in the body phosphorus (P) content and the expression of P‐linked traits, mass specific growth rate (MSGR), and P use efficiency (PUE) of the keystone aquatic consumer Daphnia using lake surveys and common garden experiments. While daphnid body %P was relatively constrained in field assemblages sampled across an environmental P gradient, unique genotypes isolated from these lakes showed highly variable phenotypic responses when raised across dietary P gradients in the laboratory. Specifically, we observed substantial inter‐ and intra‐specific variation and differences in daphnid responses within and among our study lakes. While variation in Daphnia body %P was mostly due to plastic phenotypic changes, we documented considerable genetic differences in daphnid MSGR and PUE, and relationships between MSGR and body P content were highly variable among genotypes. Overall, our study found that consumer responses to food quality may differ considerably among genotypes and that relationships between organismal life‐history traits and body stoichiometry may be strongly influenced by genetic and environmental variation in natural assemblages.
Effects of native diversity, soil nutrients, and natural enemies on exotic invasion in experimental plant communities
Authors: Heckman Robert W. , Halliday Fletcher W. , Wilfahrt Peter A. , Mitchell Charles E.
Published: March 2017

Many factors can promote exotic plant success. Three of these factors—greater pressure from natural enemies on natives, increased soil nutrient supply, and low native species richness—may interact during invasions. To test for independent and interactive effects of these drivers, we planted herbaceous perennial communities at two levels of native richness (monocultures and five‐species polycultures). We then factorially manipulated soil nutrient supply and access to these communities by aboveground foliar enemies (fungal pathogens and insect herbivores), and allowed natural colonization to proceed for four years. We predicted that nutrient addition would increase exotic success, while enemy exclusion and increasing native richness would reduce exotic success. Additionally, we expected that enemy exclusion would reduce the benefits of nutrient addition to exotic species most in species‐poor communities, and that this effect would be weaker in species‐rich communities. In total, we found no evidence that nutrient supply, enemy access, and native richness interacted to influence exotic success. Furthermore, native richness had no effect on exotic success. Instead, nutrient addition increased, and enemy exclusion decreased, exotic success independently. As predicted, enemy exclusion reduced exotic success, primarily by slowing the decline in abundance of planted native species. Together, these results demonstrate that multiple drivers of exotic success can act independently within a single system.
Giant cell myocarditis masquerading as orbital myositis with a rapid, fulminant course necessitating mechanical support and heart transplantation
Authors: Garg Vinisha , Tan Weiyi , Ardehali Reza , Shah Janki , Huynh Tracy , Aksoy Olcay
Published: March 2017

Giant cell myocarditis (GCM), a rapidly progressive inflammation of the myocardium, is associated with fulminant heart failure, refractory ventricular arrhythmias, and conduction system abnormalities. Few case reports have noted orbital myositis as the initial clinical presentation. Our case demonstrates a unique presentation of GCM with only ocular symptoms, which unlike prior studies, rapidly progressed to heart failure, tachyarrhythmias, and conduction disease. Our case necessitated quick recognition and treatment with mechanical support making this the first known case of GCM with successful placement of biventricular assist devices and ultimately with heart transplantation.
Clinical characteristics of patients from the worldwide registry on peripartum cardiomyopathy (PPCM)
Authors: Sliwa Karen , Mebazaa Alexandre , Hilfiker‐Kleiner Denise , Petrie Mark C. , Maggioni Aldo P. , Laroche Cecile , Regitz‐Zagrosek Vera , Schaufelberger Maria , Tavazzi Luigi , van der Meer Peter , Roos‐Hesselink Jolien W. , Seferovic Petar , van Spandonck‐Zwarts Karin , Mbakwem Amam , Böhm Michael , Mouquet Frederic , Pieske Burkert , Hall Roger , Ponikowski Piotre , Bauersachs Johann
Published: March 2017

Aims

The purpose of this study is to describe disease presentation, co‐morbidities, diagnosis and initial therapeutic management of patients with peripartum cardiomyopathy (PPCM) living in countries belonging to the European Society of Cardiology (ESC) vs. non‐ESC countries.

Methods and results

Out of 500 patients with PPCM entered by 31 March 2016, we report on data of the first 411 patients with completed case record forms (from 43 countries) entered into this ongoing registry. There were marked differences in socio‐demographic parameters such as Human Development Index, GINI index on inequality, and Health Expenditure in PPCM patients from ESC vs. non‐ESC countries (P < 0.001 each). Ethnicity was Caucasian (34%), Black African (25.8%), Asian (21.8%), and Middle Eastern backgrounds (16.4%). Despite the huge disparities in socio‐demographic factors and ethnic backgrounds, baseline characteristics are remarkably similar. Drug therapy initiated post‐partum included ACE inhibitors/ARBs and mineralocorticoid receptor antagonists with identical frequencies in ESC vs. non‐ESC countries. However, in non‐ESC countries, there was significantly less use of beta‐blockers (70.3% vs. 91.9%) and ivabradine (1.4% vs. 17.1%), but more use of diuretics (91.3% vs. 68.8%), digoxin (37.0% vs. 18.0%), and bromocriptine (32.6% vs. 7.1%) (P < 0.001). More patients in non‐ESC vs. ESC countries continued to have symptomatic heart failure after 1 month (92.3% vs. 81.3%, P < 0.001). Venous thrombo‐embolic events, arterial embolizations, and cerebrovascular accidents were documented in 28 of 411 patients (6.8%). Neonatal death rate was 3.1%.

Conclusion

PPCM occurs in women from different ethnic backgrounds globally. Despite marked differences in socio‐economic background, mode of presentation was largely similar. Embolic events and persistent heart failure were common within 1 month post‐diagnosis and required intensive, multidisciplinary management.
ArtinM Binding Effinities and Kinetic Interaction with Leukemia Cells: A Quartz Crystal Microbalance Bioelectroanalysis on the Cytotoxic Effect
Authors: Pesquero Naira C. , Carvalho Fernanda C. , Faria Ronaldo C. , Roque‐Barreira Maria‐Cristina , Bueno Paulo R.
Published: March 2017

ArtinM, a D‐mannose‐binding lectin from Artocarpus heterophyllus (jackfruit), interacts with N‐glycosylated receptors on the surface of several cells of hematopoietic origin, triggering cell migration, degranulation, and cytokine release. Because malignant transformation is often associated with altered expression of cell surface glycans, we evaluated the interaction of ArtinM with human myelocytic leukemia cells by Quartz Cristal Microbalance (QCM) and cross compared this investigation with cellular responses (cytotoxicity) to lectin binding by the colorimetric assay MTT, which is a standard method in biology. QCM analysis was able to provide additional information (not possible to be obtained by MTT) that impact on the knowledge of medical biology related to leukemic cells. For instance, it was shown that association rate constant of ArtinM and cellular membranes (obtained from QCM) of leukemia cell varies across the myeloid leukemia cell lines, decreasing as cytotoxic effect increases. Meanwhile no differences were observed for dissociation rate constants so that the equilibrium binding affinity constant was observed to be a direct function of the association rate event. It was supposed that ArtinM cytotoxicity is affected by the association time with glycans on the cellular membranes of leukemia cells in a way that the higher it is the association time (the lower was the association rate constant) the higher is the ArtinM cytotoxicity over the leukemia cell lines.
Testing the utility of structure‐from‐motion photogrammetry reconstructions using small unmanned aerial vehicles and ground photography to estimate the extent of upland soil erosion
Authors: Glendell Miriam , McShane Gareth , Farrow Luke , James Mike R. , Quinton John , Anderson Karen , Evans Martin , Benaud Pia , Rawlins Barry , Morgan David , Jones Lee , Kirkham Matthew , DeBell Leon , Quine Timothy A. , Lark Murray , Rickson Jane , Brazier Richard E.
Published: March 2017

Quantifying the extent of soil erosion at a fine spatial resolution can be time consuming and costly; however, proximal remote sensing approaches to collect topographic data present an emerging alternative for quantifying soil volumes lost via erosion. Herein we compare terrestrial laser scanning (TLS), and both unmanned aerial vehicle (UAV) and ground photography (GP) structure‐from‐motion (SfM) derived topography. We compare the cost‐effectiveness and accuracy of both SfM techniques to TLS for erosion gully surveying in upland landscapes, treating TLS as a benchmark. Further, we quantify volumetric soil loss estimates from upland gullies using digital surface models derived by each technique and subtracted from an interpolated pre‐erosion surface. Soil loss estimates from UAV and GP SfM reconstructions were comparable to those from TLS, whereby the slopes of the relationship between all three techniques were not significantly different from 1:1 line. Only for the TLS to GP comparison was the intercept significantly different from zero, showing that GP is more capable of measuring the volumes of very small erosion features. In terms of cost‐effectiveness in data collection and processing time, both UAV and GP were comparable with the TLS on a per‐site basis (13.4 and 8.2 person‐hours versus 13.4 for TLS); however, GP was less suitable for surveying larger areas (127 person‐hours per ha−1 versus 4.5 for UAV and 3.9 for TLS). Annual repeat surveys using GP were capable of detecting mean vertical erosion change on peaty soils. These first published estimates of whole gully erosion rates (0.077 m a−1) suggest that combined erosion rates on gully floors and walls are around three times the value of previous estimates, which largely characterize wind and rainsplash erosion of gully walls. Copyright © 2017 John Wiley & Sons, Ltd.
Negotiating Whose Property It Is, for the Public Good
Authors: Rhoades Gary
Published: March 2017

This chapter analyzes collective bargaining agreements in 4‐year institutions of higher education, examining language surrounding ownership, use, and distribution of the proceeds of intellectual property in distance education, and identifying ways in which the public good can be, and occasionally is, built in to contractual provisions.
Toll‐like receptor 5 signaling restrains T‐cell/natural killer T‐cell activation and protects against concanavalin A–induced hepatic injury
Authors: Wang Lei , Zhang Wen , Ge Chang‐Hui , Yin Rong‐Hua , Xiao Yang , Zhan Yi‐Qun , Yu Miao , Li Chang‐Yan , Ge Zhi‐Qiang , Yang Xiao‐Ming
Published: March 2017

Toll‐like receptor‐5 (TLR5) signaling regulates the immune privileged status of the liver and is involved in hepatic immune disorders. However, the role of TLR5 has not yet been investigated in experimental models of concanavalin A (Con A)–mediated liver injury. Here, we show that TLR5 is highly up‐regulated in the hepatic mononuclear cells of mice during Con A–induced hepatitis. Increased mortality and liver histopathology of TLR5‐deficient mice correlated with excessive production of proinflammatory cytokines, suggesting that TLR5 knockout mice were more susceptible to Con A–induced hepatitis. We also report that administration of CBLB502, an exogenous TLR5 agonist, substantially alleviated Con A–mediated hepatitis in wild‐type mice as shown by increased survival rates, reduced aminotransferase and proinflammatory cytokine production, impaired lymphocyte infiltration, and ameliorated hepatocyte necrosis and/or apoptosis. Mechanistic studies revealed that CBLB502 acts as a negative regulator in limiting T‐cell/natural killer T‐cell activity and cytokine production in the Con A–hepatitis model. Bone marrow transplantation experiments showed that TLR5 in bone marrow–derived cells contributed to the hepatoprotective efficacy of CBLB502 against Con A–induced liver injury. Moreover, interleukin‐6 elevation induced by CBLB502 is an important protective factor against Con A–induced liver injury. In addition, we demonstrate that CBLB502 suppresses α‐galactosylceramide‐induced natural killer T cell–dependent inflammatory liver injury. Conclusion: The TLR5 signaling pathway plays an important role in T cell–mediated hepatic injury and may be exploited for therapeutic treatment of inflammatory liver diseases. (Hepatology 2017;65:2059‐2073).
Excess Mortality After Pelvic Fractures Among Older People
Authors: Andrich Silke , Haastert Burkhard , Neuhaus Elke , Neidert Kathrin , Arend Werner , Ohmann Christian , Grebe Jürgen , Vogt Andreas , Jungbluth Pascal , Thelen Simon , Windolf Joachim , Icks Andrea
Published: March 2017

The study aimed to estimate excess mortality in patients aged 60 years or older up to 1 year after pelvic fracture compared with a population without pelvic fracture. In this retrospective population-based observational study, we use routine data from a large health insurance in Germany. For each patient with a first pelvic fracture between 2008 and 2010 (n = 5685 cases, 82% female, mean age 80 ± 9 years), about 34 individuals without pelvic fracture (n = 193,159 controls) were frequency matched by sex, age at index date, and index month. We estimated survival probabilities in the first year after the index date separated for cases (further stratified into inpatient/outpatient treated or minor/major pelvic fractures) and controls using Kaplan-Meier curves. Additionally, time-dependent hazard ratios (HRs) measuring excess mortality in 4-week intervals up to 52 weeks were estimated by fitting Cox regression models including adjustment for relevant confounders. Twenty-one percent of cases and 11% of controls died within 1 year. HRs (95% confidence intervals) decreased from 3.9 (3.5–4.5) within the first 4 weeks to 1.4 (1.1–1.9) within weeks 49 to 52 after the index date. After full adjustment, HRs lowered substantially (3.0 [2.6–3.4] and 1.0 [0.8–1.4]) but were still significantly increased up to week 32. Adjusted HRs in women were lower than in men: 2.8 (2.4–3.2) and 1.0 (0.7–1.4) versus 3.8 (2.9–5.0) and 1.2 (0.6–2.3). We found a clear excess mortality among older people in the first 8 months after pelvic fracture even after full adjustment. Excess mortality was higher among men in the beginning as well as for inpatient-treated persons. Absence of excess mortality was noticed for outpatient-treated persons within the first 3 months. When broken down into site-specific data, excess mortality was no longer significant for most pelvic fractures classified as minor. The only exception was fracture of pubis within the first 4 weeks. © 2017 American Society for Bone and Mineral Research.
Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities
Authors: Kearns Fiona L. , Hudson Phillip S. , Woodcock Henry L. , Boresch Stefan
Published: March 2017

We demonstrate that Jarzynski's equation can be used to reliably compute free energy differences between low and high level representations of systems. The need for such a calculation arises when employing the so‐called “indirect” approach to free energy simulations with mixed quantum mechanical/molecular mechanical (QM/MM) Hamiltonians; a popular technique for circumventing extensive simulations involving quantum chemical computations. We have applied this methodology to several small and medium sized organic molecules, both in the gas phase and explicit solvent. Test cases include several systems for which the standard approach; that is, free energy perturbation between low and high level description, fails to converge. Finally, we identify three major areas in which the difference between low and high level representations make the calculation of
difficult: bond stretching and angle bending, different preferred conformations, and the response of the MM region to the charge distribution of the QM region. © 2016 Wiley Periodicals, Inc.
Deep learning for computational chemistry
Authors: Goh Garrett B. , Hodas Nathan O. , Vishnu Abhinav
Published: March 2017

The rise and fall of artificial neural networks is well documented in the scientific literature of both computer science and computational chemistry. Yet almost two decades later, we are now seeing a resurgence of interest in deep learning, a machine learning algorithm based on multilayer neural networks. Within the last few years, we have seen the transformative impact of deep learning in many domains, particularly in speech recognition and computer vision, to the extent that the majority of expert practitioners in those field are now regularly eschewing prior established models in favor of deep learning models. In this review, we provide an introductory overview into the theory of deep neural networks and their unique properties that distinguish them from traditional machine learning algorithms used in cheminformatics. By providing an overview of the variety of emerging applications of deep neural networks, we highlight its ubiquity and broad applicability to a wide range of challenges in the field, including quantitative structure activity relationship, virtual screening, protein structure prediction, quantum chemistry, materials design, and property prediction. In reviewing the performance of deep neural networks, we observed a consistent outperformance against non‐neural networks state‐of‐the‐art models across disparate research topics, and deep neural network‐based models often exceeded the “glass ceiling” expectations of their respective tasks. Coupled with the maturity of GPU‐accelerated computing for training deep neural networks and the exponential growth of chemical data on which to train these networks on, we anticipate that deep learning algorithms will be a valuable tool for computational chemistry. © 2017 Wiley Periodicals, Inc.
Bilateral massive perirenal subcapsular effusion: A case report
Authors: Yilmaz Sercan , Zor Murat , Ersan Mehmet , Hamcan Salih
Published: March 2017

Bilateral perirenal subcapsular effusion is a rare condition with several underlying etiologies. A 27‐year‐old woman presented with a 3‐day history of bilateral flank pain and edema on the dorsum of her feet. Imaging, biochemical, and clinical evaluations revealed bilateral massive perirenal subcapsular effusion secondary to nephrotic syndrome. The patient was successfully treated with bilateral percutaneous drainage. © 2017 Wiley Periodicals, Inc. J Clin Ultrasound 45:597–599, 2017
On the Number of Nonisomorphic Subtrees of a Tree
Authors: Czabarka Éva , Székely László A. , Wagner Stephan
Published: March 2017

We show that a tree of order n has at most nonisomorphic subtrees, and that this bound is best possible. We also prove an analogous result for the number of nonisomorphic rooted subtrees of a rooted tree.
The syntheses of [13C6] and [phenyl‐14C(U)]BMS‐816336, an inhibitor of 11β‐hydroxysteroid dehydrogenase type 1, for type 2 diabetes
Authors: Maxwell Brad D.
Published: March 2017

Type 2 diabetes is a significant worldwide health problem. To support the development of BMS‐816336 as an inhibitor of 11β‐hydroxysteroid dehydrogenase type 1 for type 2 diabetes, the synthesis of carbon‐14 labeled material was required for use in metabolic profiling. [Phenyl‐14C(U)]BMS‐816336 was synthesized in 8 steps and 22% radiochemical yield from commercially available [14C(U)]bromobenzene. The radiochemical purity of [phenyl‐14C(U)]BMS‐816336 was 100% having a specific activity of 84.4 μCi/mg or 28.8 mCi/mmol for a total of 8.9 mCi. It was also necessary to synthesize [13C6]BMS‐816336 for use as a liquid chromatography/mass spectrometry standard. [13C6]BMS‐816336 was also prepared in 8 labeled steps in 26% yield from [13C6]bromobenzene.
Performance of region‐of‐influence approach of frequency analysis of extreme rainfall in monsoon climate conditions
Authors: Das Samiran
Published: March 2017

This study investigates the applicability of the region‐of‐influence (ROI) approach of frequency analysis of extreme rainfall in a monsoon‐dominated country and to find the most appropriate scheme of the method. Seven differentROIpooling schemes are examined which differ in their similarly distance measure containing a range of different site descriptors (also known as pooling variables). The site descriptors also include average annual monsoon rainfall (AAMR) which is introduced to assess its suitability in this climatic condition. TheROIschemes are evaluated against traditional regional as well as at‐site frequency analysis. The performance of the selected scheme in terms of homogeneity and frequency behaviour is also assessed. In order to determine the performance, the study uses annual maximum rainfall data of 1‐day duration at 34 stations in Bangladesh, which has a tropical monsoon climate. It is found that theROImethod of any variants is superior to the traditional geographical approach of regional analysis as well as to the at‐site analysis. TheAAMRbased pooling scheme has provided the best result among the consideredROIschemes. The pooling groups delineated based onAAMRhas also passed the homogeneity test and conveyed a desirable frequency behaviour. All results indicate that theAAMRas a pooling variable, i.e. information about monsoon rainfall, should be accommodated to the estimation of extreme rainfall in a monsoon‐dominated region.
Raman spectral variation for human fingernails of postmenopausal women is dependent on fracture risk and osteoporosis status
Authors: Beattie J. R. , Caraher M. C. , Cummins N. M. , O'Driscoll O. M. , Eastell R. , Ralston S. H. , Towler M. R.
Published: March 2017

Patients diagnosed with osteoporosis have reported loss of fingernail resilience as the disease progresses. Keratin is the predominant protein in human nail tissue, and its structure has been postulated to be different in fingernails clipped from subjects who have sustained fragility fractures and those who have not, which may offer a window into the donor's bone health. This study was designed to qualify these differences, which may lead to the development of a novel screening tool for fracture risk. Raman spectroscopy was used to measure the fingernails of 633 postmenopausal women who presented at six fracture clinics located across the UK and Ireland. The Raman signals from donor's fingernails were compared between (1) fracture and nonfracture and (2) osteoporotic versus non‐osteoporotic donors The data presented show differences in the protein changes observed for pervasive osteoporosis compared to a general increased risk of fragility fracture. For fracture risk, compositional changes falling into broad classes of amino acid residue (aliphatic, aromatic, acidic, amide and sulphurous) were observed, while a difference in disulphide bonding levels was reaffirmed. For pervasive osteoporosis, the disulphide mode suggested increasing disorder in disulphide bonding orientation. Fractures were associated with a transition from alpha helical secondary structure to random, while the pervasive osteoporosis cases were associated with a transition to beta sheet structure. General fracture risk is associated with a change in the structure and composition of the keratin protein. Osteoporosis is associated with different protein structural changes and an increase in free acid groups. Copyright © 2017 John Wiley & Sons, Ltd.