bluuebunny/crossref_metadata_2025 huggingface dataset:
Nested and interleaved direct sequence spread spectrum to enhance CDMA security and bit error rate performance
Authors: Falahati Abolfazl , Sanandaji Nader
Published: May 2016

Two new methods, the nested direct sequence spread spectrum and interleaved direct sequence spread spectrum, are introduced in view of the previously investigated spread spectrum methods. In the nested direct sequence method, the security is maintained, and the cross‐correlation between different codes resulting in multi‐user interference that corresponds to BER performance is improved, while in the interleaved direct sequence spread spectrum, the security is improved and BER performance is maintained. Both methods are analysed by mathematical relations as well as computer simulations and are compared with the existing methods. Copyright © 2016 John Wiley & Sons, Ltd.
Type 2 diabetes, insulin treatment and prognosis of breast cancer
Authors: Mu Lan , Zhu Nannan , Zhang Jiao , Xing Fang , Li Daiqing , Wang Xin
Published: May 2016

Background

The aim of our study was to investigate whether pre‐existing type 2 diabetes and insulin therapy have an impact on the prognosis of breast cancer patients.

Methods

We performed a retrospective analysis of 462 type 2 diabetic breast cancer patients and 1644 non‐diabetic breast cancer patients treated in our institute from January 2005 to August 2010. Patients were divided by diabetes status and insulin use. The clinicopathological characteristics and clinical outcomes of patients within 5 years following breast cancer diagnosed were analysed.

Results

Diabetic patients tended to have higher body mass index and higher histological grade tumours. Five‐year disease‐free survival and overall survival were reduced in diabetic patients (P < 0.001), and diabetes was an independent predictor for an increased risk of breast cancer relapse and death within 5 years (P < 0.001). Insulin treatment was associated with reduced 5‐year disease‐free survival and overall survival (P < 0.05); the risk of 5‐year relapse and breast cancer mortality in the insulin group increased compared to that of non‐insulin group after adjusting for age, tumour size, histological grade, oestrogen receptor, progesterone receptor, chemotherapy and hormone therapy (P < 0.05). After adjusting for age and other factors, the risk of breast cancer relapse was also increased in the insulin subgroup, while the risk of breast cancer mortality did not increase statistically.

Conclusions

Type 2 diabetes and insulin treatment might be independently associated with poorer prognosis of breast cancer. However, caution is needed when interpreting our results, and further investigations are needed. Copyright © 2016 John Wiley & Sons, Ltd.
Robust Metal‐Organic Frameworks Based on Tritopic Phosphonoaromatic Ligands
Authors: Taddei Marco , Costantino Ferdinando , Vivani Riccardo
Published: May 2016

Microporous metal‐organic frameworks (MOFs) based on phosphonic ligands are still a very small family of materials if compared to carboxylate‐based MOFs, due to some inherent features that make them challenging to synthesize and to characterize. Nonetheless, metal phosphonates display remarkable chemical and thermal robustness that could represent an asset in terms of their employment for practical applications. This feature makes them attractive as alternative materials to classical carboxylate‐based MOFs, which often suffer from limited stability. In recent years a number of tritopic phosphonoaromatic ligands have been used as building blocks with the aim of generating open‐framework structures. The approach has often proved to be successful and several microporous compounds have been discovered.
Spectroelectrochemistry of EuCl3 in Four Molten Salt Eutectics; 3 LiCl−NaCl, 3 LiCl−2 KCl, LiCl−RbCl, and 3 LiCl−2 CsCl; at 873 K
Authors: Schroll Cynthia A. , Chatterjee Sayandev , Levitskaia Tatiana , Heineman William R. , Bryan Samuel A.
Published: May 2016

Key electrochemical properties affecting pyroprocessing of nuclear fuel were examined in four eutectic melts using Eu3+/2+ as a representative probe. We report the electrochemical and spectroelectrochemical behavior of EuCl3 in four molten salt eutectics (3 LiCl−NaCl, 3 LiCl−2 KCl, LiCl−RbCl and 3 LiCl−2 CsCl) at 873 K. Cyclic voltammetry was used to determine the reduction potential for Eu3+/2+ and the applied potentials for spectroelectrochemistry. Single step chronoabsorptometry and thin‐layer spectroelectrochemistry were used to obtain the number of electrons transferred, reduction potentials and diffusion coefficients for Eu3+ in each eutectic melt. The reduction potentials determined by thin‐layer spectroelectrochemistry were essentially the same as those obtained using cyclic voltammetry. The diffusion coefficient for Eu3+ was the largest in the 3 LiCl−NaCl melt, showed a negative shift in the 3 LiCl−2 KCl melt, and was the smallest in the LiCl−RbCl and 3 LiCl−2 CsCl eutectic melts. The basic one‐electron reversible electron transfer for Eu3+/2+ was not affected by melt composition.
Development of the 19 X‐STR loci multiplex system and genetic analysis of a Zhejiang Han population in China
Authors: Yang XingYi , Wu WeiWei , Chen LinLi , Liu ChangHui , Zhang XiaoFang , Chen Ling , Feng XingLin , Wang HuiJun , Liu Chao
Published: May 2016

The 19 X‐STRs multiplex system is a PCR‐based amplification kit that facilitates simultaneous amplification of 19 X‐chromosomal STR loci (i.e. DXS7423, DXS10148, DXS10159, DXS6809, DXS7424, DXS8378, DXS10164, DXS10162, DXS7132, DXS10079, DXS6789, DXS101, DXS10103,DXS10101, HPTRB, DXS10075, DXS10074, DXS10135, and DXS10134). Eleven loci were extensively used in an Investigator Qiagen Argus X‐12 (DXS7423, DXS10148, DXS8378, DXS10162, DXS7132, DXS10079, DXS10103, DXS10101, HPTRB, DXS10074, and DXS10135). In this research, the multiplex system was tested for detection sensitivity, DNA mixtures, inhibitor tolerance and species specificity; SWGDAM Validation Guidelines – Approved December 2012 were followed for the human fluorescent STR multiplex PCR reagent. Samples from 181 unrelated Zhejiang Han individuals (121 males and 60 females) were typed using this multiplex system. The results show that this 19X‐STRs multiplex system is a robust and reliable amplification means to facilitate forensic and human identification testing.
Characterizing supraglacial meltwater channel hydraulics on the Greenland Ice Sheet from in situ observations
Authors: Gleason Colin J. , Smith Laurence C. , Chu Vena W. , Legleiter Carl J. , Pitcher Lincoln H. , Overstreet Brandon T. , Rennermalm Asa K. , Forster Richard R. , Yang Kang
Published: May 2016

Supraglacial rivers on the Greenland Ice Sheet (GrIS) transport large volumes of surface meltwater toward the ocean, yet have received relatively little direct research. This study presents field observations of channel width, depth, velocity, and water surface slope for nine supraglacial channels on the south‐western GrIS collected between July 23 and August 20, 2012. Field sites are located up to 74 km inland and span 494–1485 m elevation, and contain measured discharges larger than any previous in situ study: from 0.006 to 23.12 m3/s in channels 0.20 to 20.62 m wide. All channels were deeply incised with near vertical banks, and hydraulic geometry results indicate that supraglacial channels primarily accommodate greater discharges by increasing velocity. Smaller streams had steeper water surface slopes (0.74–8.83%) than typical in terrestrial settings, yielding correspondingly high velocities (0.40–2.60 m/s) and Froude numbers (0.45–3.11) with supercritical flow observed in 54% of measurements. Derived Manning's n values were larger and more variable than anticipated from channels of uniform substrate, ranging from 0.009 to 0.154 with a mean value of 0.035 ± 0.027 despite the absence of sediment, debris, or other roughness elements. Ubiquitous micro‐depressions in shallow sections of the channel bed may explain some of these roughness values. However, we find that other, unobserved sources of flow resistance likely contributed to these elevated Manning's n values: future work should explicitly consider additional sources of flow resistance beyond bed roughness in supraglacial channels. We conclude that hydraulic modeling for these channels must allow for both subcritical and supercritical flow, and most importantly must refrain from assuming that all ice‐substrate channels exhibit similar hydraulic behavior, especially for Froude numbers and Manning's n. Finally, this study highlights that further theoretical and empirical work on supraglacial channel hydraulics is necessary before broad scale understanding of ice sheet hydrology can be achieved. Copyright © 2016 John Wiley & Sons, Ltd.
Androgens and androgenic activity in broiler manure assessed by means of chemical analyses and in vitro bioassays
Authors: Valdehita Ana , Fernández-Cruz María-Luisa , González-Gullón María Isabel , Becerra-Neira Eduardo , Delgado María Mar , García-González Mari Cruz , Navas José María
Published: May 2016

The use of manure as an agricultural amendment is increasing the release of steroid hormones into the environment. Most research in this field has focused on estrogenic phenomena, with less attention paid to androgenic substances. The present study assessed androgenic activity in broiler manure using in vitro approaches based on cells stably transfected with androgen receptor. Leaching experiments were also performed to observe whether endocrine disruptors present in manure pass through a soil column and potentially reach groundwater. In parallel, an analytical chemistry method was used to determine the contribution of the most important natural androgens to androgenicity. Samplings were performed at 4 farms in 2 seasons. All but 2 samples showed androgen activity. In leakage experiments, however, no androgenic activity was detectable in leachates or in soils after leaching. According to the analytical results, androgenicity can be attributed mainly (but not completely) to androstenedione, and dihydrotestosterone. Similarly to the bioassays, chemical analysis did not reveal the presence of any androgen in leachates or soils. These results point to a rapid degradation of the substances responsible for androgenic activity in soils under the experimental conditions of the present study. However, the long-term effects associated with the constant and intensive application of manure to agricultural land require further attention. Environ Toxicol Chem 2017;36:1746–1754. © 2016 SETAC
The Characterization of a Former World War I Battlefield by Integrating Multiple Signals from a Multireceiver EMI Soil Sensor
Authors: Saey Timothy , Gheyle Wouter , Stichelbaut Birger , Bourgeois Jean , Verplaetse Stephanie , Van Eetvelde Veerle , Note Nicolas , Van Meirvenne Marc
Published: May 2016

World War I (WWI) battlefields contain a large diversity of buried features that are situated just below the plough layer. A noninvasive interdisciplinary approach is preferred to characterize the buried heritage embedded within its soil landscape. In this study, the potential of integrating both electrical conductivity and magnetic susceptibility measurements from a multireceiver electromagnetic induction (EMI) instrument at a heavily shelled WWI battlefield was evaluated. Primarily, both measurements allowed the attribution of approximate depth interval to the buried trench remains. These remains proved dominantly present within the 0.4–0.8 m depth interval. Subsequently, both apparent electrical conductivity and magnetic susceptibility measurements were separately integrated to improve the contrast between buried features and their surrounding background. Trenches that were ditches filled with topsoil material could be distinguished from trenches that were continuously or partially filled with metal reinforcements or debris. To conclude, integrating multiple signals from a multireceiver EMI system allowed for a more straightforward discrimination of the buried WWI relicts.
Synthesis of Diverse Oxa‐Carbocycle‐Annulated Flavones Using the Combined Claisen Rearrangement and Ring‐Closing Metathesis
Authors: Gogula Thirupathi , Yerrabelly Jayaprakash Rao
Published: May 2016

A simple and efficient route for the synthesis of oxepine‐, oxocine‐, oxepinone‐, and dioxocine‐angularly annulated flavone skeletons has been developed. The combined Claisen rearrangement and the ring‐closing metathesis are used as key steps for the construction of C7/C8–C6–C6 tricyclic core structures.
Rapid approximate calculation of water binding free energies in the whole hydration domain of (bio)macromolecules
Authors: Reif Maria M. , Zacharias Martin
Published: May 2016

The evaluation of water binding free energies around solute molecules is important for the thermodynamic characterization of hydration or association processes. Here, a rapid approximate method to estimate water binding free energies around (bio)macromolecules from a single molecular dynamics simulation is presented. The basic idea is that endpoint free‐energy calculation methods are applied and the endpoint quantities are monitored on a three‐dimensional grid around the solute. Thus, a gridded map of water binding free energies around the solute is obtained, that is, from a single short simulation, a map of favorable and unfavorable water binding sites can be constructed. Among the employed free‐energy calculation methods, approaches involving endpoint information pertaining to actual thermodynamic integration calculations or endpoint information as exploited in the linear interaction energy method were examined. The accuracy of the approximate approaches was evaluated on the hydration of a cage‐like molecule representing either a nonpolar, polar, or charged water binding site and on α‐ and β‐cyclodextrin molecules. Among the tested approaches, the linear interaction energy method is considered the most viable approach. Applying the linear interaction energy method on the grid around the solute, a semi‐quantitative thermodynamic characterization of hydration around the whole solute is obtained. Disadvantages are the approximate nature of the method and a limited flexibility of the solute. © 2016 Wiley Periodicals, Inc.
PyFREC: Software for Förster electronic coupling evaluation in molecular fragments
Authors: Kosenkov Dmytro
Published: May 2016

Electronic couplings are crucial for understanding exciton dynamics and associated energy transfer in artificial and natural chromophores. The proposed PyFREC (Python FRagment Electronic Coupling) software enables evaluation of electronic couplings based on the Förster model. PyFREC features the decomposition of electronic couplings, obtained through quantum chemical calculations, into the orientation and dipole strength components. Furthermore, the variation method to evaluate energies of coupled electronic excited states and delocalization of electronic excitations is implemented in the software. PyFREC has been tested on the S22 benchmark dataset of non‐covalent complexes and water clusters. © 2016 Wiley Periodicals, Inc.
Detection of Serum Interleukin‐6/10/18 Levels in Sepsis and Its Clinical Significance
Authors: Feng Mingchen , Sun Tingting , Zhao Yaxin , Zhang Hui
Published: May 2016

Objective

To explore the clinical significance of serum levels of IL‐6/10/18 in sepsis.

Methods

Sixty‐six patients with sepsis were selected to be the case group. Additionally, 42 healthy adults were selected to be the control group. ELISA was used to measure the serum levels of IL‐6/10/18, and ROC was utilized to evaluate the diagnostic values of IL‐6/10/18 in sepsis.

Results

The heart rate, respiratory rate, WBC count and APACHE II score in the sepsis group were significantly higher than those in the control group, and these indexes were increased in turn in the mild sepsis group, severe sepsis group, and septic shock group (all P < 0.05 after correction). The serum IL‐6/18 levels in sepsis patients were significantly higher than those in the control group, and both of the levels were increased in turn in the mild sepsis group, severe sepsis group, and septic shock group (both P < 0.05). However, no significant difference was found in serum IL‐10 level between groups (P > 0.05). The cut‐off points of IL‐6 and IL‐18 were 109.19 pg/ml (sensitivity: 94.4%; specificity: 83.3%) and 116.01 pg/ml (sensitivity: 77.8%; specificity: 83.3%), respectively. Serum IL‐6 levels were positively correlated with the APACHE II score and heart rate (both P < 0.001).

Conclusion

Serum levels of IL‐6/8 are up‐regulated in sepsis patients. Additionally, IL‐6 has a greater sensitivity than IL‐18. Serum IL‐6 levels were positively correlated with the APACHE II score and heart rate, indicating that IL‐6 could be used as a potential biomarker for sepsis.
Effect of treatment with simvastatin on bone microarchitecture of the femoral head in an osteoporosis animal model
Authors: Monteiro Lucas Oliveira , Macedo Ana Paula , Shimano Roberta Carminati , Shimano Antônio Carlos , Yanagihara Gabriela Rezende , Ramos Junia , Paulini Marina Ribeiro , Tocchini de Figueiredo Fellipe Augusto , Gonzaga Miliane Gonçalves , Issa João Paulo Mardegan
Published: May 2016

The objective of this study was to evaluate the microarchitecture and trabecular bone strength at the distal region of the femur, and its biomechanical properties with simvastatin administration with two different doses in ovariectomized (OVX) rats. Ninety rats were divided into six groups to evaluate treatment with the simvastatin drug (n = 15): SH (Sham surgery), SH‐5 (5 mg simvastatin), SH‐20 (20 mg simvastatin), OVX, OVX‐5, and OVX‐20. Euthanasia was performed at three different times, five animals per period: 7, 14, and 28 days. The effectiveness of the treatments was evaluated by mechanical testing and histomorphometric analysis of the femurs. The results of analysis by the linear model of mixed effects showed 20 mg of simvastatin results in increased trabecular bone after 14 days (P = 0.039) of ingestion in ovariectomized animals. However, ingestion of 5 mg of simvastatin is able to sensitize the trabecular bone only at 28 days (P = 0.005) of ingestion. In the mechanical tests stiffness improves within 28 days (P = 0.003). Regarding maximum strength, no statistical differences were observed. According to these results, it can be concluded that for a decrease in oral intake, longer treatment times are required. Microsc. Res. Tech. 79:684–690, 2016. © 2016 Wiley Periodicals, Inc.
Design and Synthesis of 2,5‐Disubstituted‐1,3,4‐Oxadiazole Hybrids Bearing Pyridine and 1,2,3‐Triazole Pharmacophores
Authors: Kaushik Reena , Kushwaha Khushbu , Chand Mahesh , Vashist Monika , Jain Subhash C.
Published: May 2016

A novel series of 2,5‐disubstituted‐1,3,4‐oxadiazoles decorated with two biodynamic moieties pyridine and 1,2,3‐triazole have been successfully synthesized in good yields under mild reaction conditions. The synthesized compounds are valuable for biological activity exploration since three biodynamic moieties are covalently linked together in a single molecular framework. All the synthesized compounds were fully characterized by their detailed spectral studies IR, 1HNMR, 13C NMR and Mass.
Physician predictions of length of stay of patients admitted with heart failure
Authors: Durstenfeld Matthew S. , Saybolt Matthew D. , Praestgaard Amy , Kimmel Stephen E.
Published: May 2016

Physicians' ability to predict length of stay is understudied, particularly for patients with heart failure (HF) admissions. The objective of this prospective, observational cohort study was to measure the accuracy of inpatient physicians' predictions of length of stay at the time of admission of patients admitted to an academic tertiary care hospital with HF and to determine whether level of experience improves accuracy. The patients included 165 adults consecutively admitted with heart failure, about whom 415 predictions were made within 24 hours of admission. Mean and median lengths of stay were 10.9 and 8 days, respectively. The mean difference between predicted and actual length of stay was statistically significant for all groups: interns, −5.9 days (95% confidence interval [CI]: −8.2 to −3.6, P < 0.0001); residents, −4.3 days (95% CI: −6.0 to −2.7, P = 0.0001); attending cardiologists, −3.5 days (95% CI: −5.1 to −2.0, P < 0.0001). There were no differences in accuracy by level of experience (P = 0.61). Physicians, regardless of experience, underestimate length of stay of patients admitted with HF. Journal of Hospital Medicine 2016;11:642–645. © 2016 Society of Hospital Medicine
Hospital characteristics and 30‐day all‐cause readmission rates
Authors: Al‐Amin Mona
Published: May 2016

BACKGROUND

The Centers for Medicare and Medicaid Services (CMS) publicly reports hospital‐wide all‐cause readmission rates, which are key indicators of quality and waste. Understanding hospital characteristics that are associated with lower readmission rates is important.

OBJECTIVES

The main objective of this article is to identify hospital characteristics associated with lower readmission rates. Specifically, we focus on the relationship between hospitalist staffing levels, the level of physician integration, and physician ownership with hospital‐wide all‐cause readmissions.

METHODS

We rely on data from CMS, American Hospital Association Annual Survey Database, and Area Health Resource File. We use ordinary least square regression to assess the association between readmission rates and hospitalist staffing levels, physician integration, physician ownership, and the presence of a medical home model, while controlling for key organizational and market factors such as registered nurse (RN) staffing levels and competition.

RESULTS

Higher hospitalist staffing levels, the fully integrated physician model, and physician ownership were associated with lower readmission rates. The addition of 1 hospitalist per general and surgical bed was associated with a 0.77 percentage‐points decrease in adjusted 30‐day all‐cause readmission rates. Fully integrated hospitals had adjusted 30‐day all‐cause readmission rates 0.09 percentage points lower than non–fully integrated hospitals, and hospitals partially or fully owned by physicians had adjusted readmission rates 0.36 percentage points lower than non–physician‐owned hospitals.

CONCLUSIONS

Hospitals should focus on modifiable organizational factors that influence patient outcomes such as hospitalist and RN staffing levels and explore hospital‐physician arrangements that result in the greatest alignment between hospital and physician incentives. Journal of Hospital Medicine 2016;11:682–687. © 2016 Society of Hospital Medicine
An In Situ Investigation into the Formation of the Solvent‐Induced Crystalline Phase of Poly(9,9‐Dioctylfluorene) in Solvent Vapor Annealing
Authors: Yang Hua , Qu Kexin , Li Haidong , Cheng He , Zhang Jidong
Published: May 2016

A new metastable solvent‐induced clathrate liquid crystalline phase of β phase (named β' here) in crystalline poly(9,9‐dioctylfluorene) (PFO) thin film induced by solvent annealing is found by a combination of in situ ultraviolet and visible spectrophotometry (UV‐vis), photoluminescence spectroscopy (PL), and grazing incidence wide‐angle X‐ray scattering (GIWAXS). The solvent annealing process consists of three processes: diffusion of solvent molecules into the film; saturation of solvent in the film; and drying of the film under nitrogen. The formation of β' phase with ordered packing of side chains and disordered packing of backbones occurs during the diffusion process of solvent molecules into the film. When the solvent molecules penetrate the film, the disordered side chains start to align themselves to form an ordered structure, and the ordering would gradually in the saturationprocess. Furthermore, the ordering of side chains drives an ordered rearrangement of the backbones during the drying process; however, the crystallinity of the side chains decreases with the orderly rearrangement of backbones due to the helical conformation of PFO.

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Facile One Pot Polycondensation Method to Synthesize the Crosslinked Polyethylene glycol‐Based Copolymer Electrolytes
Authors: Gong Xianjing , Shi Dean , Zeng Huihui , Yang Yingkui , Jiang Tao , Zhang Qunchao , Jiang Shichun , Li Robert K. Y. , Mai Yiu‐Wing
Published: May 2016

Comb‐like polyethylene glycol (PEG)‐based copolymer electrolytes with given crosslinking density are synthesized using PEG as the main chain segments (denoted as MC‐PEG), methoxy polyethylene glycol (MPEG) as side chain segments (denoted as SC‐PEG), and hexamethylene‐1,6‐diisocyanate homopolymer (HDI trimer) as bridging and/or crosslinking agent. In this study, the effects of molecular weight of MC‐PEG and SC‐PEG on Li ion conductivities of the copolymer have been examined. If MC‐PEG and/or SC‐PEG do not crystallize, the ion conductivities of graft copolymer electrolyte increase with either decreasing MC‐PEG or increasing SC‐PEG segment length. The highest ion conductivity of the copolymer electrolyte at room temperature reaches up to 7.7 × 10−4 S cm−1 when the molecular weight of MC‐PEG is 400 g mol−1 and SC‐PEG is 1000 g mol−1 (denoted as GC400‐1000). However, when the MC‐PEG and/or SC‐PEG segments begin to crystallize (i.e., GC400‐2000), where the flexibility of the related PEG molecular chains is largely reduced, the ion conductivity drops by almost two orders comparing to that of GC400‐1000 copolymer electrolyte. Meanwhile, crosslinked GC400‐1000 electrolyte has good thermal and electrochemical stability as well as high mechanical properties, making it suitable for commercial applications in Li ion secondary batteries.

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High‐Detectivity All‐Polymer Photodetectors with Spectral Response from 300 to 1100 nm
Authors: Qi Ji , Qiao Wenqiang , Zhou Xiaokang , Yang Dezhi , Zhang Jidong , Ma Dongge , Wang Zhi Yuan
Published: May 2016

Broad‐response and high‐detectivity for all‐polymer photodetectors based on p‐ and n‐type semiconducting polymers have been achieved through optimization of polymer property and film microstructure. The electron‐donating units in the p‐type polymers affect a great deal of the polymer properties such as solubility, absorption spectra, and electronic energy levels, which in turn can influence the device performance. The polymer (P3) based on dithienopyrrole and diketopyrrolopyrrole is most promising for photodetector applications, as it possesses the suitable energy level with regard to the n‐type polymer and exhibits appropriate film morphology and molecular stacking with aid of 1,8‐diiodooctane as an additive during film processing. The photodetector based on P3/poly{[N,N′‐bis(2‐octyldodecyl)‐naphthalene‐1,4,5,8‐bis(dicarboximide)‐2,6‐diyl]‐alt‐5,5′‐(2,2′‐bithiophene)} (PNDI) exhibits good response from 300 to 1100 nm and nearly constant detectivity (D*) above 1012 Jones at 330–980 nm, rendering a great potential of all‐polymer photodetectors for practical applications.

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Direct Evidence of Divalent Manganese Ion‐Induced DNA Condensation at Room Temperature
Authors: Jia Jun‐Li , Xi Bo , Ran Shi‐Yong
Published: May 2016

Whether manganese ion can induce DNA condensation at room temperature has not been clarified. In this study, direct evidence of Mn2+ ion‐induced DNA condensation is provided by single‐molecule measurements and atomic force microscopy characterization. It is shown that elevated temperature is not a requirement to induce DNA condensation, but helps to promote the process at the ensemble level. The finding suggests the failure of the Manning theory in explaining Mn2+‐DNA interactions and refreshes the view that divalent metal ions cannot cause DNA condensation. The localized binding of Mn2+ on DNA is believed to induce condensation.

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Spatial perspectives in the redox code—Mass spectrometric proteomics studies of moonlighting proteins
Authors: Pinto Gabriella , Radulovic Marko , Godovac‐Zimmermann Jasminka
Published: May 2016

The Redox Code involves specific, reversible oxidative changes in proteins that modulate protein tertiary structure, interactions, trafficking, and activity, and hence couple the proteome to the metabolic/oxidative state of cells. It is currently a major focus of study in cell biology. Recent studies of dynamic cellular spatial reorganization with MS‐based subcellular‐spatial‐razor proteomics reveal that protein constituents of many subcellular structures, including mitochondria, the endoplasmic reticulum, the plasma membrane, and the extracellular matrix, undergo changes in their subcellular abundance/distribution in response to oxidative stress. These proteins are components of a diverse variety of functional processes spatially distributed across cells. Many of the same proteins are involved in response to suppression of DNA replication indicate that oxidative stress is strongly intertwined with DNA replication/proliferation. Both are replete with networks of moonlighting proteins that show coordinated changes in subcellular location and that include primary protein actuators of the redox code involved in the processing of NAD+/NADH, NADP+/NADPH, Cys/CySS, and GSH/GSSG redox couples. Small groups of key proteins such as {KPNA2, KPNB1, PCNA, PTMA, SET} constitute “spatial switches” that modulate many nuclear processes. Much of the functional response involves subcellular protein trafficking, including nuclear import/export processes, vesicle‐mediated trafficking, the endoplasmic reticulum/Golgi pathway, chaperone‐assisted processes, and other transport systems. This is not visible to measurements of total protein abundance by transcriptomics or proteomics. Comprehensive pictures of cellular function will require collection of data on the subcellular transport and local functions of many moonlighting proteins, especially of those with critical roles in spatial coordination across cells. The proteome‐wide analysis of coordinated changes in abundance and trafficking of proteins offered by MS‐based proteomics has a unique, crucial role to play in deciphering the complex adaptive systems that underlie cellular function. © 2016 Wiley Periodicals, Inc. Mass Spec Rev
Fatigue of nodular cast iron at high frequency loading
Authors: Vaško A. , Hurtalová L. , Uhríčik M. , Tillová E.
Published: May 2016

The paper deals with the influence of charge composition on microstructure of nodular cast iron and its fatigue properties at high frequency loading. The basic charge of experimental melts was formed by a different ratio of pig iron and steel scrap. Chemical composition of individual melts was regulated alternatively by metallurgical silicon carbide (SiC) or ferrosilicon (FeSi) and carburizer. Fatigue tests were realised at high frequency sinusoidal cyclic push‐pull loading (stress ratio R = –1) at ambient temperature (T = 20 ± 5 °C). High frequency fatigue tests were carried out with using of the ultrasonic fatigue testing device KAUP‐ZU (frequency f ≈ 20 kHz).

The results show differences in mechanical and fatigue properties, which are connected with the microstructure. SiC additive positively influences microstructure and consequently, mechanical and fatigue properties of nodular cast iron are improved.
On the numerical simulation of the thermal behavior during the selective laser melting process
Authors: Liebisch A. , Merkel M.
Published: May 2016

In the selective laser melting (SLM), components are manufactured layer by layer using an additive process. A laser beam is used as a heat source to fuse fine metal powder. The occurring temperatures during the process have a decisive influence on the manufacturing process itself and the consequential mechanical and technological properties. By varying process parameters such as the laser power, it is possible to influence the temperature level as well as the geometrical extent of the melting zone. A big issue of the selective laser melting technology is thermal distortion resulting in residual stresses that can lead to a fracture of the component. In this study the heat balance during the selective laser melting production process in terms of resultant stresses is analyzed using the Finite Element Method. For this purpose, the melting zones of one single layer are investigated numerically for an initial aluminium alloy process. Afterwards, the geometric extend of the zones are validated using microsections of manufactured components in order to optimize the thermal boundary conditions of the simulation model. The main features here are the path width, the layer thickness and the resulting overlapping zones of the individual melt pools. These preliminary identified findings are used to create a model to investigate the occurring residual stresses. With this analysis, on the one hand the qualitative correctness of the representation of the numerical stresses could be shown. On the other hand, the influence of laser‐power and laser‐spot‐velocity on the component accuracy and so the formation of stresses are investigated by applying a parameter study.
Simulating the mechanical properties of three‐dimensional printed artificial bone scaffolds
Authors: Harbusch‐Hecking J. , Öchsner A.
Published: May 2016

The rapid distribution of additive manufacturing processes simplifies the production of individual parts vastly. Especially in the area of tissue engineering countless applications are possible. The use as artificial bone scaffolds to speed‐up the regeneration of bone injuries is particularly interesting. Such scaffolds are periodic structures made from unit cells. To be able to adapt the structure for the intended application, a reliable method to simulate the mechanical properties of the final, three‐dimensionally printed part is needed. By using symmetric and periodic boundary conditions as well as an adjusted material model, different forms of structures can be reliably simulated in a short amount of time. Depending on the load case, there are different ways shown to determine all necessary material parameters. The impact of a damaged structure on the performance is shown as well. The acquired results facilitate future simulations and the design of structures for real‐world usage.
Automatic sizing functions for unstructured surface mesh generation
Authors: Chen Jianjun , Xiao Zhoufang , Zheng Yao , Zheng Jianjing , Li Chenfeng , Liang Kewei
Published: May 2016

Accurate sizing functions are crucial for efficient generation of high‐quality meshes, but to define the sizing function is often the bottleneck in complicated mesh generation tasks because of the tedious user interaction involved. We present a novel algorithm to automatically create high‐quality sizing functions for surface mesh generation. First, the tessellation of a Computer Aided Design (CAD) model is taken as the background mesh, in which an initial sizing function is defined by considering geometrical factors and user‐specified parameters. Then, a convex nonlinear programming problem is formulated and solved efficiently to obtain a smoothed sizing function that corresponds to a mesh satisfying necessary gradient constraint conditions and containing a significantly reduced element number. Finally, this sizing function is applied in an advancing front mesher. With the aid of a walk‐through algorithm, an efficient sizing‐value query scheme is developed. Meshing experiments of some very complicated geometry models are presented to demonstrate that the proposed sizing‐function approach enables accurate and fully automatic surface mesh generation. Copyright © 2016 John Wiley & Sons, Ltd.
Measured Governance? Policing and Performance Management in South Africa
Authors: Faull Andrew
Published: May 2016

The nineties were a period of mass reforms in South African policing. Within a few years of its transition from apartheid to democracy, the South African Police Service (SAPS) had developed a performance measurement tool based on the New York CompStat system. Such tools have been praised for their apparent effectiveness in reducing crime but scorned for the pressures they place on police officers. This article demonstrates that the SAPS' Performance Chart has framed the police as crime fighters, giving little to no regard for community relations or police legitimacy. While organisational rhetoric emphasises police‐community relations and police professionalism, these are absent from the targets by which police are assessed. The unintended consequences were clearly demonstrated when angry residents of Khayelitsha in Cape Town successfully lobbied for a Commission of Inquiry into the failures of policing in 2012. The scandal showed that despite good intentions, the introduction of the Chart has not produced effective, democratic policing. On the contrary, the resulting pressure to ‘perform’ can and has promoted police practices that erode community trust in and cooperation with police. For the SAPS, this is particularly true in the absence of a measure of public confidence or of feelings of safety. Copyright © 2016 John Wiley & Sons, Ltd.
The Pacifying Police Units of the State of Rio de Janeiro (UPPs): Incremental Innovation or Police Reform?
Authors: Pinto Rogerio F. , Do Carmo Maria Scarlet
Published: May 2016

This article considers the experience of Unidades de Polícia Pacificadora (UPPs) (Pacifying Police Units) of the State of Rio de Janeiro, Brazil, as an innovative form of policing designed to deal primarily with high crime rate in “favelas.” It also attempts to ascertain the extent to which the UPPs reflect a strategy for police reform. It does so by (i) reviewing the security crisis which engendered the UPPs as well as their predecessors, describing the socio‐economic hardships of the favelas, further aggravated by high crime rates; (ii) describing the institutional and political environment giving rise to the policing policy underpinning the UPPs, and (iii) by assessing this innovation against a backdrop of systemic police reform models, singling out missing elements to constitute a true police system reform. This review provides a record of police policy of successive state governments, showing that the adoption of the UPPs followed a reactive political pattern while falling short of the requirements for proactively deliberate and comprehensive reform. Contrary to most of the guiding reform principles and elements discussed, policing reform in the State of Rio de Janeiro has indeed been bound by innovative incrementalism, following a pendular pattern, with little sustainability and a record of fluctuating achievements. Copyright © 2016 John Wiley & Sons, Ltd.
Parental Grief Following the Death of a Child from Cancer: The Ongoing Odyssey
Authors: Snaman Jennifer M. , Kaye Erica C. , Torres Carlos , Gibson Deborah , Baker Justin N.
Published: May 2016

Background

The death of a child is a devastating event that results in profound grief and significant psychosocial and physical morbidities in parents. The parental grief journey is a complex phenomenon necessitating the utilization of newer models of bereavement with a focus on relationships and exploration of parents’ perceived meanings of the experience.

Objectives

To further characterize the grief journey of parents whose child died from cancer in order to better identify parents who can benefit from additional bereavement support and design strategies to improve bereavement services for these parents.

Design

We conducted focus group sessions with 11 bereaved parents. The parents were given two prompts to describe their grief journey before and after their child's death, and their responses in a narrative form were audio‐recorded. The responses were coded and studied independently by semantic content analysis.

Results

Collation and analysis of the coded responses to both prompts results in the emergence of four concepts from the parental narratives: (1) description of the grief trajectory and evolution of grief over time, (2) mechanisms of parental coping throughout the grief journey, (3) factors that exacerbate parental grief, and (4) sources of parental support throughout the grief journey.

Conclusions

The narratives highlighted that parents whose child died of cancer experience a unique and evolving form of grief and they wish to continue their bond with the deceased child. We recommend that healthcare providers and institutions incorporate support systems into a comprehensive bereavement program for families of children who die from cancer.
Primary Effusion Lymphoma (PEL)‐Like Lymphoma in a Child With Congenital Immunodeficiency
Authors: Lam Grace K. S. , Abdelhaleem Mohamed , Somers Gino R. , Roifman Chaim , Read Stanley , Abla Oussama
Published: May 2016

Primary effusion lymphoma (PEL) is a rare lymphoma that occurs more frequently in immunocompromised adults and has a poor survival. We report a 9‐year‐old female with combined immunodeficiency with an Epstein–Barr virus positive/human herpes virus 8 negative PEL‐like lymphoma. The treatment with systemic chemotherapy for non‐Hodgkin lymphoma, zidovudine, and interferon‐α failed to control disease progression. This is the first reported pediatric case of PEL‐like lymphoma. Increased diagnostic awareness and more effective treatment strategies are needed for this rare lymphoma.
Preparation of hydroxyl and (3‐aminopropyl)triethoxysilane functionalized multiwall carbon nanotubes for use as conductive fillers in the polyurethane composite
Authors: Li Shasha , Wang Zhongde , Jia Jinlan , Hou Caiying , Hao Xiaogang , Zhang Hui
Published: May 2016

A new method has been developed to prepare hydroxyl‐functionalized multiwall carbon nanotubes (MWCNTs‐OH) and (3‐aminopropyl)triethoxysilane‐functionalized MWCNTs (MWCNTs‐APTES), which can be uniformly dispersed in solvent‐borne polyurethane (PU) to obtain the nanocomposites with enhanced mechanical, thermal, and electrical properties. Scanning electron microscope, X‐ray photoelectron spectroscopy, Fourier transform infrared spectrometer, and thermogravimetric analyzer were employed to characterize the changes in MWCNTs surface morphology and structure. The result showed that the oxidation of MWCNTs by H2O2 in NaOH solution caused small damages to their structure, and oxygen‐containing functional groups were mainly present as hydroxyl groups, which acted as binding sites in the next silanization process. The functionalization provided MWCNTs with improved dispersibility and strong interfacial bonds in/with PU matrix, resulting in an increase in the wettability, tensile strength, hardness, storage modulus, glass transition temperature, thermal stability, and electronic conductivity of the PU composites. In comparison with the MWCNTs‐OH composites, MWCNTs‐APTES composites exhibited more enhanced above properties because hydroxyls or amines could increase the interfacial adhesion between MWCNTs and PU matrix, whereas alkyl groups of the silane are favor of increasing the filler's compatibility with polymer. At loading of 6 wt% MWCNTs, the tensile strength and electronic conductivity of MWCNTs‐OH/PU were 2.45 MPa and 1.72 S/cm, respectively, but increased to 3.45 MPa and 87 S/cm for the MWCNTs‐APETS/PU composite. POLYM. COMPOS., 39:1212–1222, 2018. © 2016 Society of Plastics Engineers
Polyurea microcapsules from isocyanatoethyl methacrylate copolymers
Authors: Risangud Nuttapol , Congdon Thomas R. , Keddie Daniel J. , Wilson Paul , Kempe Kristian , Haddleton David M.
Published: May 2016

The synthesis of two types of isocyanate side chain containing copolymers, poly(methyl methacrylate‐co‐isocyanatoethyl methacrylate) (P(MMA‐co‐IEM)) and poly(benzyl methacrylate‐co‐isocyanatoethyl methacrylate) (P(BnMA‐co‐IEM)), which were synthesized by Cu(0)‐mediated radical polymerization, is reported. Polymerization proceeded to high conversion giving polymers of relatively narrow molar mass distributions. The incorporation of the bulky aromatic groups in the latter copolymer rendered it sufficiently stable toward hydrolysis and enabled the isolation of the product and its characterization by 1H and 13C NMR, and FTIR spectroscopy and SEC. Both P(MMA‐co‐IEM) and P(BnMA‐co‐IEM) were functionalized with dibutylamine, octylamine, and (R)‐(+)‐α‐methylbenzyl‐amine, which further proved the successful incorporation of the isocyanate groups. Furthermore, P(BnMA‐co‐IEM) was used for the fabrication of liquid core microcapsules via oil‐in‐water interfacial polymerization with diethylenetriamine as crosslinker. The particles obtained were in the size range of 10–90 µm in diameter independent of the composition of copolymer. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 2698–2705
Hybrid auxetic foam and perforated plate composites for human body support
Authors: Mohanraj H. , Filho Ribeiro S. L. M. , Panzera T. H. , Scarpa F. , Farrow I. R. , Jones R. , Davies‐Smith A. , Remillat C. D. L. , Walters P. , Peng H.‐X.
Published: May 2016

The article describes the design, manufacturing, modelling and testing of a hybrid composite support made from auxetic open cell foam liners and curved thermoplastic plates with rhomboidal perforations for human body support. Both the foam and the curved perforated plate have in‐plane negative Poisson's ratio behaviour. The static bending stiffness of the hybrid auxetic composite support is modelled using an analytical and Finite Element approach benchmarked against experimental results from three‐point bending tests. The benchmarked Finite Element models are used to develop a map of optimised static stiffness versus the geometry of the rhomboidal perforations. A Design of Experiment testing campaign is also carried out on 16 hybrid auxetic composite plates to understand the interaction and correlation of the static bending versus the geometry of the perforations and the contribution given by the auxetic foam liner.
Unexpected properties of non‐autoionizing doubly excited states of the H2 molecule
Authors: Corongiu Giorgina
Published: May 2016

We present accurate calculations of the non‐autoionizing
and
doubly excited states of the H2 molecule using full configuration interaction with Hartree–Fock molecular orbitals and Heitler–London atomic orbitals. We consider the united atom configurations from He(2p2p) up to He(2p8g) and dissociation products from H2(2p + 2p) up to H2(2p + 6ℓ). Born–Oppenheimer calculations are carried out with extended and optimized Slater‐type orbitals for a total of 40 states, 10 for each symmetry, covering the internuclear distances from the united atom to dissociation, which, for some states, is reached beyond 100 a0. Occurrences of repulsive states cleanly interlaced between bound states with many vibrational levels are reported. Some of the potential minima are deep enough to accommodate many vibrational levels (up to 50). Noteworthy large equilibrium minima, like Req = 46.0 a0 in the
state dissociating as (2p + 6h) and with 18 vibrational levels. The occurrence of vertical excitations from the singly excited manifolds is analyzed. Several states present double minima generated by avoided crossings, some with a strong ionic character. © 2016 Wiley Periodicals, Inc.
Solution of the “Classical” Schrödinger equation for a driven symmetric triple well: A comparison with its classical counterpart
Authors: Kar Susmita , Kumar Chattaraj Pratim
Published: May 2016

The behavior of a driven symmetric triple well potential has been studied by developing an algorithm where the well‐established Bohmian mechanics and time‐dependent Fourier Grid Hamiltonian method are incorporated and the quantum theory of motion (QTM) phase space structures of the particle are constructed, both in “nonclassical” and “classical” limits. Comparison of QTM phase space structures with their classical analogues shows both similarity as well as dissimilarities. The temporal nature and the spatial symmetry of applied perturbation play crucial roles in having similar phase space structures. © 2016 Wiley Periodicals, Inc.