bluuebunny/crossref_metadata_2025 huggingface dataset:
A multigrid solver to the Helmholtz equation with a point source based on travel time and amplitude
Authors: Treister Eran , Haber Eldad
Published: July 2018

The Helmholtz equation arises when modeling wave propagation in the frequency domain. The equation is discretized as an indefinite linear system, which is difficult to solve at high wave numbers. In many applications, the solution of the Helmholtz equation is required for a point source. In this case, it is possible to reformulate the equation as two separate equations: one for the travel time of the wave and one for its amplitude. The travel time is obtained by a solution of the factored eikonal equation, and the amplitude is obtained by solving a complex‐valued advection–diffusion–reaction equation. The reformulated equation is equivalent to the original Helmholtz equation, and the differences between the numerical solutions of these equations arise only from discretization errors. We develop an efficient multigrid solver for obtaining the amplitude given the travel time, which can be efficiently computed. This approach is advantageous because the amplitude is typically smooth in this case and, hence, more suitable for multigrid solvers than the standard Helmholtz discretization. We demonstrate that our second‐order advection–diffusion–reaction discretization is more accurate than the standard second‐order discretization at high wave numbers, as long as there are no reflections or caustics. Moreover, we show that using our approach, the problem can be solved more efficiently than using the common shifted Laplacian multigrid approach.
Health‐care providers’ perspectives on traditional and complementary alternative medicine of childhood cancer in Kenya
Authors: Olbara Gilbert , Parigger Josta , Njuguna Festus , Skiles Jodi , Sitaresmi Mei Neni , Gordijn Suzanne , van de Ven Peter , Kaspers Gertjan , Mostert Saskia
Published: July 2018

Purpose

Traditional and complementary alternative medicine (TCAM) use is rising globally. In many African countries, TCAM has been a way of life as the first and last resort remedy for many ailments, including cancer. Health‐care providers (HCP) should address this need properly. This study explores HCP perspectives on TCAM in Kenya.

Methods

This cross‐sectional study used questionnaires. HCP involved in the care of children with cancer at a Kenyan academic hospital were interviewed.

Results

In total, 155 HCP (response rate 79%) participated. Only 18% of HCP were positive about TCAM use. However, most HCP (85%) use TCAM themselves. More doctors (90%) than other HCP (56%) think that chemotherapy can cure cancer (P < 0.001).Thirty‐three percent of HCP believe a combination of TCAM and chemotherapy is the best way to cure cancer, while 56% think that usefulness of TCAM is underestimated in conventional medicine. Self‐prayer is regarded as most effective (58%) and safe (76%). Most harmful is witchcraft (80%). Most HCP (71%) think their knowledge about safety and efficacy of TCAM is inadequate. HCP think that their cancer patients use TCAM (97%) and that it is important that parents inform them about this (97%). However, only 5% of HCP always openly discuss TCAM with parents.

Conclusions

HCP need to improve their knowledge of TCAM and facilitate open communication about TCAM with families so parents feel safe to discuss their interest in it.
Intermittent or uneven daily administration of low‐dose hydroxyurea is effective in treating children with sickle cell anemia in Angola
Authors: Chambers Tiffany M. , Kahan Silvina , Camanda Joao F. , Scheurer Michael , Airewele Gladstone E.
Published: July 2018

Background

Although hydroxyurea is proven effective in treatment of sickle cell anemia (SCA) and is widely prescribed in high‐income countries, due to questions about feasibility of treating large numbers of patients in resource‐limited health systems, its use is limited in sub‐Saharan Africa (SSA), where most children with SCA live. We assessed hematological response and toxicity of hydroxyurea treatment for SCA in Angola.

Methods

Retrospective study of children with SCA (not selected for clinical severity) treated on a fixed dose of hydroxyurea for at least 6 months. Because only the 500 mg capsule was available, dose was averaged weekly. We evaluated toxicity events and magnitude of hydroxyurea‐induced changes in blood counts and compared patients who received a uniform daily dose to those prescribed intermittent or uneven daily doses.

Results

Only 13% of 303 patients received a uniform dose of hydroxyurea daily. Dose ranged from 16.5 to 22.8 mg/kg/day. Hydroxyurea increased HGB and mean cell volume values by 0.5 g/dL (P < 0.0001) and 8 fL (P < 0.0001), while ANC, PLT, and ARC decreased 1.1 × 109/L (P < 0.0001), 34 × 109/L (P = < 0.0001), and 19 × 109/L (P = 0.0008), respectively. There were no differences in magnitude of hydroxyurea‐induced changes between patients prescribed intermittent or uneven doses and uniform daily doses, or between those treated in the lower and higher dose quartiles. Hematological toxicity events were mild and reversible.

Conclusion

Intermittent or uneven daily dosing of hydroxyurea is as effective as fixed daily doses in treating SCA. This strategy may enable treatment of additional children with SCA in SSA.
Medication‐related anaphylaxis treated in hospital: Agents implicated, patient outcomes, and management lessons
Authors: Graudins Linda V. , Trubiano Jason A. , Zubrinich Celia M. , Elliott Ainslee S. , Aung Ar Kar
Published: July 2018

Purpose

On background of increasing medication‐related anaphylaxis rates in Australia, our aim was to determine epidemiology, outcomes, adverse drug reaction (ADR) reporting rates, and accuracy of coding in patients treated for nonantimicrobial medication‐related anaphylaxis in our hospital network.

Methods

From January 2010 to December 2015 patients treated in our hospital network for medication‐related anaphylaxis were identified using International Classification of Diseases, 10th Edition diagnosis code T88.6. Cases were also extracted from the hospital ADR database. Medical records were reviewed to ensure consistent diagnosis and to extract clinical, documentation, and outcome data.

Results

Of 1110 patients coded as T88.6, 177 (15.9%) met the medication‐related anaphylaxis definition. Eighty (40.8%) had anaphylaxis due to nonantimicrobial agents. Thirteen of these (16.3%) had a previous reaction to the same medication/group. In 51 (63.8%) patients, anaphylaxis occurred during inpatient stay, with 31 reactions occurring during surgery. Eighty‐five medications were implicated, most commonly neuromuscular blocking agents (31, 36.5%) and nonsteroidal anti‐inflammatory drugs. No trends were noted over the 6‐year period, and there was no anaphylaxis‐related mortality. Fifty‐three (66.3%) patients were assessed in allergy clinics. One in 10 cases did not have the reaction documented in the discharge summary. Adverse drug reaction reports were received for 38 patients (47.5%).

Conclusions

Although acute patient outcomes were excellent, gaps in practice were noted regarding ADR coding accuracy and reporting rates. One in 6 patients had a prior hypersensitivity reaction to a similar medication, so we recommend accurate documentation, ADR review with allergy follow‐up, and patient held information to decrease re‐exposure risk.
Active surveillance of severe cutaneous adverse reactions: A case‐population approach using a registry and a health care database
Authors: Rodríguez‐Martín Sara , Martín‐Merino Elisa , Lerma Victoria , Rodríguez‐Miguel Antonio , González Olga , González‐Herrada Carlos , Ramírez Elena , Bellón Teresa , de Abajo Francisco J.
Published: July 2018

Purpose

The “case‐population” design has been proposed for the surveillance of rare events like Stevens‐Johnson syndrome/toxic epidermal necrolysis (SJS/TEN), wherein a registry of cases is combined with sales data from the source population in order to estimate crude odds ratios (ORs). A major drawback of this method is the inability to distinguish between new and non‐new users of drugs, which for the study of hypersensitivity reactions is of utmost importance.

Methods

We have explored an approach in which the exposure to the drugs of interest in the source population is inferred from a primary health care database (BIFAP), which helped us to identify drug initiators among all users and additionally adjust for potential confounders. A total of 44 SJS/TEN cases from the Registry and 44 000 controls randomly sampled from BIFAP and matched with cases for index date were included. We estimated the adjusted ORs (AORs) and 95% confidence intervals (CI) of SJS/TEN associated with the new use of 13 drugs (for which we had at least two exposed cases) through a conditional logistic regression model.

Results

AORs (95% CI) were estimated for phenytoin, 4618 (434‐49112); cotrimoxazole, 1142 (163‐8015); allopurinol, 160 (36‐709); dexamethasone, 38 (1.33‐1077); ibuprofen, 33 (8.6‐124); lorazepam, 27 (5.8‐124); paracetamol, 13 (2.8‐62); levofloxacine, 12 (1.24‐120); amoxicillin, 6.9 (1.39‐35); pantoprazole, 6.5 (0.10‐420); metamizole, 6.3 (0.69‐57); amoxicillin clavulanic acid, 4.2 (0.53‐34); and omeprazole, 1.34 (0.06‐31). The inclusion of non‐new users dramatically decreased the AORs for all drugs.

Conclusions

The case‐population approach using a registry of cases and a primary health care database proved feasible and efficient for the active surveillance of SJS/TEN.
Synthesis and characterization of versatile amphiphilic dendrimers peripherally decorated with positively charged amino acids
Authors: Alfei Silvana , Catena Silvia
Published: July 2018

Dendrimers are nanostructured ‘architectural motifs’ with a well‐tailored polymeric structure, symmetric tree‐like shape and the presence of several functional groups and inner cavities, and are of eminent interest in many biomedical applications such as drug delivery, gene transfection and imaging. In the work reported, reliable protocols for the synthesis of polyester‐based, hydrolysable, amphiphilic polycationic dendrimers were developed. A C‐18 hydrocarbon chain provided by a biocompatible fatty acid, stearic acid, and second‐ and third‐generation dendrons based on 2,2‐bis(hydroxymethyl)propionic acid were built on 2,2‐bis(hydroxymethyl)propanol and pentaerythritol as core molecules. αN‐BOC‐ω'N‐(NO2)‐l‐arginine alone, mixed with αN,ϵN‐di‐BOC‐l‐lysine or also with N,N′‐dimethylglycine and αN‐BOC‐methylglycine were successfully bound to the prepared polyester neutral scaffolds and, after the removal of protecting groups, five cationic dendrimers were obtained. Their structure was confirmed using NMR analysis and experimental molecular weight. Their buffer capacity, comparable to that of polyethyleneimines, was optimal, high viability percentage values were obtained from cytotoxicity assays and zeta potential and mean particle size were in the desired ranges. The synthesized nanostructured compounds that harmonize a multifunctional polycationic shell, a biodegradable uncharged polyester matrix and a C‐18 hydrophobic portion helpful for an improved hydrophilic–lipophilic balance in their structure embody all the fundamental features to be suitable for biomedical applications. © 2018 Society of Chemical Industry
Real‐time monitoring and diagnosis of photovoltaic system degradation only using maximum power point—the Suns‐Vmp method
Authors: Sun Xingshu , Chavali Raghu Vamsi Krishna , Alam Muhammad Ashraful
Published: July 2018

The uncertainties associated with technology‐specific and geography‐specific degradation rates make it difficult to calculate the levelized cost of energy, and thus the economic viability of solar energy. In this regard, millions of fielded photovoltaic modules may serve as a global testbed, where we can interpret the routinely collected time series maximum power point (MPP) data to assess the time‐dependent “health” of solar modules. The existing characterization methods, however, cannot effectively mine/decode these datasets to identify various degradation pathways. In this paper, we propose a new methodology called the Suns‐Vmp method, which offers a simple yet powerful approach to monitoring and diagnosing time‐dependent degradation of solar modules by using the MPP data. The algorithm reconstructs “IV” curves by using the natural illumination‐dependent and temperature‐dependent daily MPP characteristics as constraints to fit physics‐based circuit models. These synthetic IV characteristics are then used to determine the time‐dependent evolution of circuit parameters (eg, series resistance), which in turn allows one to deduce the dominant degradation modes (eg, solder bond failure) of solar modules. The proposed method has been applied to a test facility at the National Renewable Energy Laboratory. Our analysis indicates that the solar modules degraded at a rate of ~0.7%/year because of discoloration and weakened solder bonds. These conclusions are validated by independent outdoor IV measurements and on‐site imaging characterization. Integrated with physics‐based degradation models or machine learning algorithms, the method can also serve to predict the lifetime of photovoltaic systems.
Demoralization and death anxiety in advanced cancer
Authors: An Ekaterina , Lo Christopher , Hales Sarah , Zimmermann Camilla , Rodin Gary
Published: July 2018

Objective

The circumstances of advanced cancer can cause considerable psychological distress, including death anxiety and demoralization. Although these states of existential distress have a negative impact on the quality of life of patients with advanced cancer, they are rarely evaluated as outcomes or targets of interventions in this population. In an effort to improve understanding of existential distress, a structural model of relationships among death anxiety, demoralization, symptom burden, and social relatedness was tested in patients with advanced cancer.

Methods

A total of 307 patients with advanced cancer completed baseline measures including the Death and Dying Distress Scale, the Demoralization Scale, the modified Experiences in Close Relationships Scale, the Life Completion subscale of the Quality of Life Evaluation—Cancer scale, the Memorial Symptom Assessment Scale, and Karnofsky Performance Status. A structural equation model of protective and risk factors for demoralization and death anxiety was tested.

Results

The final model had good fit (SRMR = 0.061; RMSEA = 0.077; CFI = 0.927; NNFI = 0.902) in which death anxiety was positively associated with demoralization (β = 0.71), and demoralization was positively associated with symptom burden (β = 0.31) and negatively associated with social relatedness (β = −0.74).

Conclusions

The findings of this study suggest that demoralization and death anxiety are closely linked in patients with advanced cancer. The contribution of both symptom burden and low social relatedness to demoralization suggests that an integrated intervention addressing both physical and psychosocial disease factors may be most effective at alleviating such states of existential distress.
Multistep mutational transformation of a protein fold through structural intermediates
Authors: Kumirov Vlad K. , Dykstra Emily M. , Hall Branwen M. , Anderson William J. , Szyszka Taylor N. , Cordes Matthew H. J.
Published: July 2018

New protein folds may evolve from existing folds through metamorphic evolution involving a dramatic switch in structure. To mimic pathways by which amino acid sequence changes could induce a change in fold, we designed two folded hybrids of Xfaso 1 and Pfl 6, a pair of homologous Cro protein sequences with ~40% identity but different folds (all‐α vs. α + β, respectively). Each hybrid, XPH1 or XPH2, is 85% identical in sequence to its parent, Xfaso 1 or Pfl 6, respectively; 55% identical to its noncognate parent; and ~70% identical to the other hybrid. XPH1 and XPH2 also feature a designed hybrid chameleon sequence corresponding to the C‐terminal region, which switched from α‐helical to β‐sheet structure during Cro evolution. We report solution nuclear magnetic resonance (NMR) structures of XPH1 and XPH2 at 0.3 Å and 0.5 Å backbone root mean square deviation (RMSD), respectively. XPH1 retains a global fold generally similar to Xfaso 1, and XPH2 retains a fold similar to Pfl 6, as measured by TM‐align scores (~0.7), DALI Z‐scores (7‐9), and backbone RMSD (2–3 Å RMSD for the most ordered regions). However, these scores also indicate significant deviations in structure. Most notably, XPH1 and XPH2 have different, and intermediate, secondary structure content relative to Xfaso 1 and Pfl 6. The multistep progression in sequence, from Xfaso 1 to XPH1 to XPH2 to Pfl 6, thus involves both abrupt and gradual changes in folding pattern. The plasticity of some protein folds may allow for “polymetamorphic” evolution through intermediate structures.
A benchmarking study on virtual ligand screening against homology models of human GPCRs
Authors: Lim Victor Jun Yu , Du Weina , Chen Yu Zong , Fan Hao
Published: July 2018

G‐protein‐coupled receptor (GPCR) is an important target class of proteins for drug discovery, with over 27% of FDA‐approved drugs targeting GPCRs. However, being a membrane protein, it is difficult to obtain the 3D crystal structures of GPCRs for virtual screening of ligands by molecular docking. Thus, we evaluated the virtual screening performance of homology models of human GPCRs with respect to the corresponding crystal structures. Among the 19 GPCRs involved in this study, we observed that 10 GPCRs have homology models that have better or comparable performance with respect to the corresponding X‐ray structures, making homology models a viable choice for virtual screening. For a small subset of GPCRs, we also explored how certain methods like consensus enrichment and sidechain perturbation affect the utility of homology models in virtual screening, as well as the selectivity between agonists and antagonists. Most notably, consensus enrichment across multiple homology models often yields results comparable to the best performing model, suggesting that ligand candidates predicted with consensus scores from multiple models can be the optimal option in practical applications where the performance of each model cannot be estimated.
Exploring the conformational landscapes of HIV protease structural ensembles using principal component analysis
Authors: Hassan Sameer , Srikakulam Sanjay Kumar , Chandramohan Yuvaraj , Thangam Manonanthini , Muthukumar Soundharrya , Gayathri Devi P. K. , Hanna Luke Elizabeth
Published: July 2018

HIV protease, an essential enzyme for viral particle maturation, is an important drug target of HIV. Its structural conformation is a key determinant of both biological function as well as efficient binding of protease inhibitor molecules. In the present study we analyzed 471 crystal structures of HIV‐1 protease to understand the conformational changes induced by mutations or binding of various ligands and substrates. We performed principal component analysis on the ensembles of the HIV‐1 protease structures to explore the conformational landscapes. The study identified structural differences between drug resistant and drug sensitive protease structures. Conformational changes were identified in the A and B chains of homo‐dimeric HIV protease structures having different combinations of mutations, and also rigidity in the binding conformation of HIV drugs within the active site of the protein.© 2018 Wiley Periodicals, Inc.
A computational model for controlling conformational cooperativity and function in proteins
Authors: Erman Burak
Published: July 2018

We present a computational model that allows for rapid prediction of correlations among a set of residue pairs when the fluctuations of another set of residues are perturbed. The simple theory presented here is based on the knowledge of the fluctuation covariance matrix only. In this sense, the theory is model independent and therefore universal. Perturbation of any set of fluctuations and the resulting response of the remaining set are calculated using conditional probabilities of a multivariate normal distribution. The model is expected to rapidly and accurately map the consequences of mutations in proteins, as well as allosteric activity and ligand binding. Knowledge of triple correlations of fluctuations of residues i, j, and k, emerges as the necessary source of information for controlling residue pairs by perturbing a distant residue. Triple correlations have not received wide attention in literature. Perturbation–response–function relations for ubiquitin (UBQ) are discussed as an example. Covariance matrix for UBQ obtained from the Gaussian Network Model combined with the present computational algorithm is able to reflect the millisecond molecular dynamics correlations and observed NMR results. © 2018 Wiley Periodicals, Inc.
The stereoisomerism of second generation anticoagulant rodenticides: a way to improve this class of molecules to meet the requirements of society?
Authors: Lattard Virginie , Benoit Etienne
Published: July 2018

Second generation anticoagulant rodenticides (SGAR) are generally highly efficient for rodent management even towards warfarin‐resistant rodents. Nevertheless, because of their long tissue‐persistence, they are very associated with non‐target exposure of wildlife and have been identified as ‘Candidates for Substitution’ by the European Union's competent authority. A promising way to reduce ecotoxicity issues associated to SGAR could be the improvement of SGAR based on their stereoisomery, and due to this improvement, positioning about SGAR might be reconsidered. © 2018 Society of Chemical Industry
Strain‐Driven Self‐Assembling of Nano‐Voids and Formation of Core–Shell Bubbles in SiSn/Si Layers
Authors: Gaiduk Peter
Published: July 2018

Self‐assembling of nanometer size voids in strained Sn precipitates after hot He+ ion implantation is investigated by transmission electron microscopy (TEM). It is deduced from TEM study that high‐temperature irradiation produces vacancies which is collected by compressively strained Sn precipitates enhancing out‐diffusion of Sn atoms from the precipitates. The effects of implantation dose and Sn precipitate size on void formation and Sn out‐diffusion are documented and evolution of voids into core–shell Sn‐bubbles is reported. In particular, the size of the voids increased with the implantation dose and the voids are transformed to the core–shell Sn particles after implantation of 6 × 1015 He+ cm−2. Formation of the core–shell structures is faster for Sn particles of smaller initial size. Strain‐enhanced separation of point defects along with vacancy‐assisted Sn out‐diffusion and precipitate dissolution are discussed.
Calculated Characteristics of a Transistor Laser Using Alloys of Gr‐IV Elements
Authors: Mukhopadhyay Bratati , Sen Gopa , De Souradeep , Basu Rikmantra , Chakraborty Vedatrayee , Basu Prasanta K.
Published: July 2018

The performance of a transistor laser (TL) structure consisting of SiGeSn emitter, SiGeSn base incorporating a GeSn quantum well (QW) and a GeSn collector is studied in the present work. The Sn concentration is chosen to yield direct band gap for all the layers. An earlier model developed for InGaAs QW in GaAs base, that could satisfactorily explain most of the experimental data, is employed to calculate terminal currents, threshold current, and light power output. The model solves continuity equation, considers virtual states above QW, Fermi Golden rule to calculate gain, Fermi statistics for occupancy of subbands and broadening of states. A low value of threshold base current is predicted.
Adaptive Weight Estimator for Quantum Error Correction in a Time‐Dependent Environment
Authors: Spitz Stephen T. , Tarasinski Brian , Beenakker Carlo W. J. , O'Brien Thomas E.
Published: July 2018

Quantum error correction of a surface code or repetition code requires the pairwise matching of error events in a space‐time graph of qubit measurements, such that the total weight of the matching is minimized. The input weights follow from a physical model of the error processes that affect the qubits. This approach becomes problematic if the system has sources of error that change over time. Here, it is shown that the weights can be determined from the measured data in the absence of an error model. The resulting adaptive decoder performs well in a time‐dependent environment, provided that the characteristic timescale τenv of the variations is greater than , with the duration of one error‐correction cycle and the typical error probability per qubit in one cycle.
Copper‐ Based Metal‐Organic Frameworks as Peroxidase Mimics Leading to Sensitive H2O2 and Glucose Detection
Authors: Menon Swetha S. , Chandran Soorya Valliparambil , Koyappayil Aneesh , Berchmans Sheela
Published: July 2018

A copper based metal organic framework (MOF) synthesized under solvo‐thermal conditions was found to exhibit intrinsic peroxidase‐like activity and was established both spectrophotometrically and electrochemically. It was found that the catalytic behaviour had been consistent with Michaelis‐Menten kinetics with a Km value of 0.08 mM with H2O2, relatively lower than that of Horseradish peroxidase enzyme (HRP) ie; 3.7 mM. The suitability of Cu–MOF for sensing H2O2 was investigated by electrochemical means. In the case of electrochemical studies, the Cu–MOF modified GCE (glassy carbon electrode) showed a very high sensitivity of 263 μA mmol−1 cm−2 with a detection limit up to 35 mM for H2O2. The peroxidase mimics can be combined with the enzymatic oxidation of glucose for sensing glucose. The detection of H2O2 and glucose using Cu–MOF was found to be highly selective towards the common interfering species.
Green Synthesis, Antimicrobial Activity and Cytotoxicity of Novel Fused Pyrimidine Derivatives Possessing a Trifluoromethyl Moiety
Authors: Al‐Bogami Abdullah S. , Saleh Tamer S. , Moussa Tarek A. A.
Published: July 2018

A series of novel fused pyrimidine derivatives possessing a trifluoromethyl moiety have been synthesized by the reaction of the enaminone named E‐3‐(dimethylamino)1‐(4‐(trifluoromethyl)phenyl)prop‐2‐en‐1‐one with a variety of heterocyclic amines under solvent free mechanochemical condition utilizing nano sized magnesium oxide catalyst. 1H–15N HMBC (Heteronuclear Multiple Bond Correlation) NMR technique was used to allow for the unambiguous structural characterization of the fused pyrimidine products. The newly synthesized fused pyrimidines were investigated for their antimicrobial and anticancer activity. A pronounced inhibitory effect on the growth of the tested cell lines was recorded by the examined newly synthesized fused pyrimidines.
Colloidal Stability of Lipid/Protein‐Coated Nanomaterials in Salt and Sucrose Solutions
Authors: Nobeyama Tomohiro , Mori Megumi , Shigyou Kazuki , Takata Koji , Pandian Ganesh N. , Sugiyama Hiroshi , Murakami Tatsuya
Published: July 2018

Considering the importance of surface chemistry in the colloidal stabilization of gold nanorods (AuNRs), we designed AuNRs in two physiologically relevant, salt and salt‐free aqueous solutions to validate its role in colloidal stability. Here, we show that AuNRs coated with cationic lipid/lipid‐binding protein composite materials is stable in both phosphate‐buffered saline (PBS) and sucrose solution (200 mM), but not in deionized water. Salting‐in effects of proteins explain the relatively better stability of AuNRs in PBS than in deionized water. Sucrose‐assisted stabilization of the AuNRs was associated with a decrease in their zeta potential and tended to diminish without the cationic lipid, which would be attributed to an electrostatic interaction between sucrose and the cationic lipid. Given that sucrose solution is often used for cell‐sized liposome studies, our finding will enable nanomaterial‐membrane interaction analyses in live cell and cell‐free systems with identical nanomaterials.
Efficient Solvent‐Free Friedel‐Crafts Benzoylation and Acylation of m‐Xylene Catalyzed by N‐Acetylpyrazine‐2‐carbohydrazide‐Fe(III)‐chloro Complexes
Authors: Barman Tannistha Roy , Sutradhar Manas , Alegria Elisabete C. B. A. , Guedes da Silva M. Fátima C. , Kuznetsov Maxim L. , Pombeiro Armando J. L.
Published: July 2018

Reaction of N‐acetylpyrazine‐2‐carbohydrazide (H2L) with anhydrous Fe(II) or Fe(III) chloride in CH3CN or in MeOH leads to the mononuclear [Fe(κNN'O‐HL)Cl2] (1) or binuclear [Fe(κNN'O‐HL)Cl(μ‐OMe)]2 (2) Fe(III) complex, respectively. These complexes are characterized by elemental analysis, ESI‐MS, IR spectroscopy, single‐crystal X‐ray crystallography, electrochemical techniques and DFT calculations. The theoretical calculations indicate that the three single‐electron sequential reductions of 1 are centred at the metal, at the pyrazine group and at both, respectively. The catalytic activity of 1 and 2 was screened towards Friedel‐Crafts benzoylation and acylation of m‐xylene. The effects of reaction parameters, such as catalyst amount, reaction time and temperature, were studied and, under optimal conditions, 96% yield of 2,4‐dimethylbenzophenone and 20% yield of 2,4‐dimethylacetophenone were obtained, respectively. Complex 1 exhibited the highest activity in both reactions. The structural and electrochemical properties were supported by theoretical calculations and the importance of the Lewis acid character of the catalyst in the promotion of this catalytic reaction is discussed.
Charophytes from the Cretaceous–Paleocene boundary in the Songliao Basin (north‐eastern China): a Chinese biozonation and its calibration to the Geomagnetic Polarity Time Scale
Authors: Li Sha , Wang Qifei , Zhang Haichun , Wan Xiaoqiao , Martín‐Closas Carles
Published: July 2018

Charophyte assemblages from the mid‐Campanian and lower Paleocene of the SK‐1(North) borehole in the Songliao Basin (NE China) are here re‐studied. Four charophyte biozones and one superzone are defined in the Sifangtai and Mingshui formations and correlated to the Geomagnetic Polarity Time Scale. These include a mid–late Campanian Atopochara trivolvis ulanensis Zone, a latest Campanian – early Maastrichtian Microchara gobica Zone, a late Maastrichtian Microchara prolixa Zone, and an earliest Danian Peckichara sinuolata Zone. The latter three zones are grouped within the Microchara cristata Superzone, which allows intra‐ and intercontinental correlation with other basins in China and Europe. Peckichara sinuolata first appears in chron C29r (upper Mingshui Formation) and is proposed as the basal marker of the Paleocene. The biozonation of the K/Pg interval proposed for the Songliao Basin differs from a previous biozonation proposed in the Pingyi Basin since it represents a different biogeographical and palaeoecological context. In the mid‐Campanian to Maastrichtian, the flora was limited to freshwater lakes in northern China and Mongolia, whereas in the Pingyi Basin, brackish water dominated. In the Paleocene, the Songliao Basin contained a diverse flora consisting of nine species that thrived in terrigenous and temporary lakes, whereas the flora in the Pingyi Basin was dominated by one species inhabiting permanent alkaline lakes. The species common to the two basins are widely distributed in Eurasia and constitute a useful tool for long‐distance correlations, but serve as a less‐precise tool for detailed biostratigraphical subdivision within one specific basin.
Seismic performance analysis of viscous damping outrigger in super high‐rise buildings
Authors: Ding Jiemin , Wang Shiyu , Wu Honglei
Published: July 2018

This paper introduces a seismic energy dissipation technology—viscous damping outrigger (VDO)—which is composed of outrigger truss and viscous damper. The viscous damper is set up vertically at the end of outrigger truss, which is an innovative and high‐efficiency arrangement. VDO can fully utilize the characteristic of structural lateral deformation of super high‐rise buildings to increase the efficiency of viscous dampers for enhancing structural security, improving seismic performance, and reducing construction expenditure. In this paper, working principle and seismic energy dissipating mechanism of VDO are explained firstly. Then, the influence of viscous damper parameters on energy dissipation efficiency is studied. Next, the optimal position of VDO in a super high‐rise building is analyzed in detail. Lastly, the application of VDO in structural seismic design of a super high‐rise building in China will be clearly verified based on their feasibility, economy, and safety.
Technological reviews of particulate matter and their source identification techniques
Authors: Yadav Akhilesh Kumar , Jamal Aarif
Published: July 2018

Particulate matter (PM) is one of the primary pollutants produced from mining operations. This paper summarizes the existing techniques used to identify sources of PM and their contribution to ambient air pollution. Human health studies indicate that there is an association between airborne PM and adverse health effects. Particularly in coal mining areas, the burning of coal and PM from machinery operations cause low air quality that is physically harmful. Thus, the sources of smoldering combustion, that are typical in coal mine burns, increase the risk to mine workers who are exposed to high concentrations of known toxicity associated with PM. Recent studies on the modeling of PM concentration profiles across various sources were reviewed for this paper.
Role of Auger electrons in X‐ray excitation by electron beam
Authors: Pavlinsky Gely V. , Lavrent'ev Yury G.
Published: July 2018

We present an algorithm that allows an estimation of the number of ionizations of atoms with low atomic number by Auger electrons produced in the matrix during excitation of X‐rays by an electron beam. The dependence of Auger ionization on the atomic number of the matrix has a maximum resulting from the increasing energy of Auger electrons and the decrease of their number as a function of the atomic number. Dependence of the contribution of Auger electrons to the analytical signal on the energy of primary electrons is calculated. Estimates of this contribution to X‐ray emissions by boron, carbon, nitrogen, and fluorine in different matrices are given.
Structure, Bonding, Reactivity and Spectral Features of Putative NiIII=O Species: A Theoretical Perspective
Authors: Pandey Bhawana , Ray Kallol , Rajaraman Gopalan
Published: July 2018

Although extensive efforts have been undertaken to study in detail the formation, reactivity, and stability of mononuclear NiIII species bearing a terminal oxo/hydroxo group, electronic structure of such high‐valent species is not unambiguously established. Using a combination of density functional and ab initio CASSCF methods, we have probed the structure, bonding, spectral features, and reactivity of putative NiIII‐oxo/hydroxo complexes supported by a tetradentatetripodal TMG3tren {tris[2‐(N‐tetramethylguanidyl)ethyl]amine} ligand. Our main focus is to establish the structure and bonding of putative NiIII=O/NiIII–OH/NiIV=O species and explore the mechanism by which such species can be plausibly generated from an acylperoxonickel(II) intermediate. The characteristic spectral features of these species are computed and compared to available experimental data to obtain confidence on the computed data. In addition, we have explored the reactivity of the NiIII=O species in intra‐ and inter‐ molecular C–H bond activation reactions. Our results reveal that these species are extremely reactive and possess a significant oxyl radical character, which is the driving force behind its potent reactivity.
Randomised controlled trial of the new short-term online emotion focused training for self-compassion and self-protection in a nonclinical sample
Authors: Halamová Júlia , Kanovský Martin , Varšová Karolína , Kupeli Nuriye
Published: July 2018

The Emotion Focused Training for Self-Compassion and Self-Protection (EFT-SCP) is an intervention developed to increase skills of self-compassion and protective anger with the aim to decrease self-criticism. This novel intervention was developed on the basis of the latest findings on self-criticism from Emotion-focused therapy and previous programs cultivating compassion (namely Compassion Mind Training and Mindful Self-Compassion Program). According to existing research, simply cultivating self-compassion is not always sufficient in reducing self-criticism. Therefore, the EFT-SCP was designed to build self-compassion whilst developing protective anger to combat self-criticism. Our goal was to investigate the efficacy of this new, short-term, online EFT-SCP program in a non-clinical population. A randomized control trial was conducted with pre- and post-intervention measurements and two-month follow-up of self-compassion and self-criticism/reassurance. Convenience sampling was used to recruit participants through a snowballing technique on social media. A total of 123 participants were randomly allocated to the EFT-SCP intervention or to a control condition. The intervention group were instructed through emails to complete an EFT-SCP task every day for 14 consecutive days. The control group did not complete any tasks. Out of 123 participants, 31 from intervention group and 20 from control group completed all measurements. There was a significant effect of the EFT-SCP on increasing self-compassion and self-reassurance scores as reported at two-month follow-up. The EFT-SCP was also effective at reducing self-uncompassionate responding and self-criticism (specifically Hated self) with changes evident at two months post-intervention. These findings are encouraging and suggest that interventions designed to enhance self-compassion and decrease self-criticism can be delivered to broader populations without the direct contact with mental health professionals.
Ultrasound of the Distal Insertions of the Ankle and Foot Tendons with Anatomical Correlation: A Review
Authors: De Maeseneer Michel , Madani Hardi , Lenchik Leon , De Mey Johan , Provyn Steven , Shahabpour Maryam
Published: July 2018

The distal insertions of the tendons crossing the ankle as well as the tendons originating in the foot are less well known by radiologists. We review the anatomy and ultrasound appearance of these insertions using our own cadaveric sectioning and dissection. The ultrasound images were correlated with anatomical slices. Occasionally magnetic resonance images were also used for better understanding. Understanding the normal appearance of these tendon insertions is important for diagnosing pathology in this region.
Who Arrests those Accused by the ICC?
Authors: Fulford Adrian
Published: July 2018

In a world in which war crimes, crimes against humanity, and genocide are not uncommon, the institution that was set up to have jurisdiction over them is in danger of being unable to discharge its mandate. Put starkly, the International Criminal Court (ICC) suffers too frequently from an inability to arrest or otherwise detain alleged perpetrators, whether the prosecutor is acting proprio motu or is following a reference to the court by a state party or the Security Council. The situation of Saif al-Islam Gaddafi is a case in point: notwithstanding the Security Council's referral of Libya to the ICC, at least as a member of the public it is difficult to detect any substantial international pressure that has been applied to have Gaddafi transferred to the Court; instead, he has been mooted as a candidate in future presidential elections. In total, the Court has issued thirty-two arrest warrants and nine summonses to appear, yet has held only nine individuals in custody, with fifteen still at large. The fugitives include citizens of the Democratic Republic of Congo, Uganda, Sudan, Kenya, Libya, and the Ivory Coast. Once the present trials before the court have concluded, there is only one case potentially waiting in the wings. A sole outstanding individual, Al-Hassan Ag Abdoul Aziz Ag Mohamed Ag Mahmoud from Mali, has made an initial appearance, and later this year the pre-trial stage of his case should commence; otherwise, there are simply the three trials in progress. However, I urge careful reflection before the Court is blamed for periods in which its docket of cases is lean.
37 The impact of repeated surgery on survival for patients with recurrent glioblastoma
Authors: Nassiri F , Badhiwala J , Wang J , Zadeh G
Published: July 2018

Background: Recurrent glioblastoma portends a poor prognosis and the role of repeat surgery in improving survival remains uncertain. Therefore, we undertook a systematic review and meta-analysis in order to determine if repeat surgical resection provides a meaningful survival benefit for patients with recurrent glioblastoma. Methods: Two independent reviewers searched for articles that reported on overall-survival of patients with recurrent glioblastoma using MEDLINE, Embase, Google Scholar, and Cochrane from January 2000 to 2018. Studies that compared overall survival of patients treated with single surgery compared to repeat surgery in the temozolomide era were included for analysis.Primary outcomes were odds ratio for survival at 6, 12, and 24 months from date of initial diagnosis. Secondary outcomes were ratio odds ratio for survival at 6, 12, and 24 months from date of repeat surgery. The proportions of patients who had the outcomes of interest were pooled using random-effects model. Quality assessment was performed using the Newcastle Ottawa Scale. Heterogeneity across trials was quantified by the I2 statistic. Publication bias was evaluated visually using funnel plots and quantified by the Egger regression. Results: Fourteen articles reporting on 3048 patients were included for analysis. The majority of articles were deemed to be of high quality with Newcastle Ottawa scale greater than 7 points. Pooled analysis showed improved overall survival following repeat surgery at 6- (OR 1.73, 95% CI 1.23-2.45, p<0.05), 12- (OR 1.71, 95% CI 1.20-2.45, p<0.05), and 24-months (OR 2.24,95% CI 1.01-4.95, p<0.05) and from date of initial diagnosis at 6- (OR 8.22, 95% CI 5.23-12.93, p<0.01), 12- (OR 4.16, 95% CI 3.25-5.36, p<0.01), and 24- (2.35, 95% CI 1.77-3.11, p<0.05) months. Conclusions: Repeat surgery for recurrent glioblastoma is associated with a significant survival advantage independent of other salvage therapies that include chemotherapy, radiation, and other antineoplastic regimens.
44 Success of stem cell collection and neutrophil recovery in pediatric patients with brain tumours
Authors: Michaiel George , Truong Tony , Prokopishyn Nicole , Luu Henry , Lafay-Cousin Lucie , Strother Doug , Guilcher Greg , Lewis Victor
Published: July 2018

BACKGROUND: The use of high-dose chemotherapy (HDC) and autologous hematopoietic stem cell transplant (HSCT) has been used in certain pediatric patients with brain tumours to delay/spare radiotherapy. We aimed to study factors predicting a successful stem cell collection (SCC) and correlate stem cell dose infused with HSCT outcomes. METHODS: A retrospective chart review was undertaken for pediatric patients with brain tumours treated at our centre with HDC/HSCT between 2004-2016. RESULTS: Fifty-five patients were identified (32 male) with median age of 6.3 years at time of SCC (range 0.4-18.7). Patients' diagnoses were medulloblastoma (62%), ATRT (20%), and PNET (18%). Most patients (82%) underwent a single/1-day SCC, while the remaining required 2 SCC procedures. Peripheral blood stem cells were the source in most collections (95%). Successful SCC (CD34 collected greater-than-or-equal-to 2 x10^6/kg/transplant) and ideal SCC (greater-than-or-equal-to 5 x10^6/kg/transplant) was achieved in 85% and 45% of patients, respectively. Use of mobilizing chemotherapy with G-CSF was the only factor associated with achieving an ideal collection, while gender, age, stem cell source, and pre-apheresis peripheral blood CD34 count were not significant. Higher CD34/kg infused was associated with faster neutrophil engraftment in the first 3 courses of HDC/HSCT and platelet engraftment in the first course. CONCLUSIONS: The majority of SCC for autologous HSCT can be successfully completed with a single apheresis session. Mobilization with both chemotherapy and G-CSF yields higher CD34 compared to G-CSF alone. Higher dose of CD34/kg infused was associated with faster neutrophil and to a more limited scale platelet recovery post-HSCT.
61 Functional characterization of ribosomal RNA methyltransferase NSUN5 in glioblastoma
Authors: Zhou Jiesi , Vincent Krista , Findlay Scott , Choi Daniel , Godbout Roseline , Postovit Lynne-Marie , Fu YangXin
Published: July 2018

Glioblastoma is the most common and malignant brain tumor with a median overall survival of 20.5 months. There is an urgent need to develop novel therapeutic strategies. Using a glioblastoma TCGA dataset, we have determined that high NSUN5 mRNA expression is strongly associated with poor survival in glioblastoma patients. NSUN5 is a ribosomal RNA (rRNA) cytosine methyltransferase. Human NSUN5 is located in chromosome 7 and is completely deleted in the Williams-Beurren syndrome, a complex neurodevelopmental disorder. However, RNA targets of NSUN5 in mammals and its role in cancer are unknown. The objective of this project is to determine whether elevated NSUN5 changes rRNA methylation pattern and thereby leads to pro-tumorigenic translational reprogramming and pro-tumorigenic phenotypes in glioblastoma. Western blotting showed that NSUN5 is expressed in 7 out of 9 established glioblastoma cell lines and in 8 out of 12 primary patient-derived glioblastoma cell lines. Bisulfite sequencing confirmed that NSUN5 methylates C3782 of human 28S rRNA in glioblastoma cells. Functionally, overexpression of NSUN5 increases, whereas NSUN5 knockout decreases global protein synthesis and sphere formation in glioblastoma cells. More importantly, mice bearing intracranial NSUN5-expressing U87 tumors survived for a shorter time than mice bearing tumors derived from U87 control cells. Our results suggest that NSUN5 methylates 28S rRNA and may enhance cancer stem cell phenotypes and tumor formation and/or progression in glioblastoma. Experiments are ongoing to determine whether NSUN5 promotes tumor formation and/or progression through translational reprogramming in glioblastoma. This study may help identify novel therapeutic targets for glioblastoma.
15 CD271/p75NTR is a novel diagnostic marker, prognostic indicator and therapeutic target for SHH medulloblastoma
Authors: Liang L. , Morrison Ludivine Coudière , Tatari Nazanin , Stromecki Margaret , Fresnoza Agnes , Porter Christopher J. , Del Bigio Marc R. , Chan Cynthia Hawkins Jennifer , Taylor Michael D. , Ramaswamy Vijay , Werbowetski-Ogilvie Tamra
Published: July 2018

The extensive heterogeneity both between and within the medulloblastoma (MB) subgroups underscores a critical need for variant-specific biomarkers and therapeutic strategies. We previously identified a role for the CD271/p75 neurotrophin receptor (p75NTR) in regulating stem/progenitor cells in the SHH MB subgroup. Here, we demonstrate the utility of CD271 as a novel diagnostic and prognostic marker for SHH MB using immunohistochemical analysis as well as transcriptome data across 763 primary tumors. Characterization of CD271+ and CD271- cells by RNA sequencing revealed that these two subpopulations are molecularly distinct, co-existing cellular subsets both in vitro and in vivo. MAPK/ERK signaling is upregulated in the CD271+ population and inhibiting this pathway reduced CD271 levels, stem/progenitor cell proliferation and cell survival as well as cell migration in vitro. Importantly, the MEK inhibitor selumetinib extends survival and reduces CD271 levels in vivo. Our study demonstrates the clinical utility of CD271 as both a diagnostic and prognostic tool for SHH MB tumors and reveals a novel role for MEK inhibitors in targeting CD271+ SHH MB cells.