bluuebunny/crossref_metadata_2025 huggingface dataset:
Palmar‐plantar erythrodysesthesia syndrome following treatment with high‐dose methotrexate or high‐dose cytarabine
Authors: Karol Seth E. , Yang Wenjian , Smith Colton , Cheng Cheng , Stewart Clinton F. , Baker Sharyn D. , Sandlund John T. , Rubnitz Jeffrey E. , Bishop Michael W. , Pappo Alberto S. , Jeha Sima , Pui Ching‐Hon , Relling Mary V.
Published: May 2017

BACKGROUND

Palmar‐plantar erythrodysesthesia syndrome (PPES) is an uncommon side effect of high‐dose cytarabine or methotrexate. Prior case reports of PPES have been limited, and the predisposing factors for the development of PPES remain unknown.

METHODS

A review of databases identified 22 patients (1.3%) who developed 39 episodes of PPES among 1720 patients after treatment with high‐dose cytarabine or methotrexate.

RESULTS

Symptoms lasted a mean of 6.4 days. Hands and feet were both involved in 68% of the initial episodes. Parenteral opioids were required for pain control by 27% of the patients. In comparison with the 1698 children treated with similar therapy, the children who developed PPES were older (mean age at diagnosis, 14.3 vs 7.7 years; P = 7.5 × 10–7). The frequency of PPES was less common in patients receiving methotrexate alone (7 of 946 or 0.7%) versus cytarabine (7 of 205 or 3.4%; P = .005) but was not different for those receiving both high‐dose methotrexate and cytarabine (8 of 569 or 1.4%; P = .32). Prolonged infusions of methotrexate were associated with less frequent PPES in comparison with rapid infusions (P = 1.5 × 10–5), as was the co‐administration of dexamethasone with cytarabine (P = 2.5 × 10–6). Self‐described race and sex were not associated with PPES. In a multivariate analysis, older age and high‐dose cytarabine administration without dexamethasone remained associated with PPES (P = 1.1 × 10–4 and P = .038, respectively). A genome‐wide association study did not identify any associations with PPES meeting the genome‐wide significance threshold, but top variants were enriched for skin expression quantitative trait loci, including rs11764092 in AUTS2 (P = 6.45 × 10–5).

CONCLUSIONS

These data provide new insight into the incidence of PPES as well as its risk factors. Cancer 2017;123:3602‐8. © 2017 American Cancer Society.
Sudden gains in exposure‐focused cognitive‐behavioral group therapy for panic disorder
Authors: Nogueira‐Arjona Raquel , Santacana Martí , Montoro María , Rosado Silvia , Guillamat Roser , Vallès Vicenç , Fullana Miquel A.
Published: May 2017

In the context of psychological treatment, a sudden gain is a large and enduring improvement in symptom severity that occurs between two single therapy sessions. The influence of sudden gains on long‐term outcomes and functional impairment in anxiety disorders is not well understood, and little is known with regard to panic disorder in particular. In addition, previous research on patients with anxiety disorders has produced inconsistent results regarding the relationship between sudden gains and cognitive change. We examined the incidence of sudden gains in a large sample (n = 116) of panic disorder patients undergoing exposure‐focused cognitive‐behavioral group therapy, and compared panic severity, functional impairment, and cognitive change in patients with and without sudden gains at posttreatment and 6‐month follow‐up. Participants who experienced sudden gains displayed lower levels of panic severity and functional impairment at posttreatment and 6‐month follow‐up than those who did not experience sudden gains. However, we observed no difference in cognitive changes between groups, either at posttreatment or at follow‐up. Our results demonstrate that the beneficial effects of sudden gains on therapeutic outcomes not only extend to long‐term and functional outcome measures but are also evident in less cognitive (i.e., exposure‐focused) forms of psychological treatment.

Key Practitioner Message

Sudden gains are common in panic disorder patients undergoing exposure‐based cognitive‐behavioral group therapy.

Sudden gains during exposure‐focused therapy are linked to greater improvement in panic disorder severity and functional impairment.

The positive impact of sudden gains on panic disorder severity and functional impairment is maintained in the long term.
Nature‐Inspired Synthesis of Nanostructured Electrocatalysts through Mineralization of Calcium Carbonate
Authors: Ko Jong Wan , Son Eun Jin , Park Chan Beum
Published: May 2017

Biomineralization is a biogenic process that produces elaborate inorganic and organic hybrid materials in nature. Inspired by the natural process, this study explored a new mineralization approach to create nanostructured CaCO3films composed of amorphous CaCO3hemispheres by using catechol‐rich polydopamine (PDA) as a biomimetic mediator. The thus synthesized biomimetic CaCO3was successfully transformed to nanostructured films of metal‐oxide minerals, such as FeOOH, CoCO3, NiCO3, and MnOOH, through a simple procedure. The CaCO3‐templated metal‐oxide minerals functioned as efficient electrocatalysts; a CaCO3‐templated cobalt phosphate (nanoCoPi) film exhibited high stability as a water‐oxidation electrocatalyst with a current density of 1.5 mA cm−2. The nanostructure of nanoCoPi, consisting of individual nanoparticles (≈70 nm) and numerous internal pores (BET surface area: 3.17 m2 g−1), facilitated an additional charge‐transfer pathway from the electrode to individual active sites of the catalyst. This work demonstrates a plausible strategy for facile and green synthesis of nanostructured electrocatalysts through biomimetic CaCO3mineralization.
Developmental ecology of annual killifish Millerichthys robustus (Cyprinodontiformes: Cynolebiidae)
Authors: Domínguez‐Castanedo Omar , Valdesalici Stefano , Rosales‐Torres Ana María
Published: May 2017

Populations of annual killifishes persist in temporary water bodies over the dry season through the expression of diapause in their drought‐resistant embryos. Environmental cues may influence expression of the diapause phenotype during embryonic incubation. Millerichthys robustus is the only annual killifish distributed in North America. The aim of this review is to analyze the ecology of M. robustus development and contrast this with that of annual killifishes in austral locations. The temporary water bodies inhabited by M. robustus present the following environmental conditions: flood, drought, and humidity. During the flooding period, the environment presents the lowest temperatures, shortest photoperiod, and highest precipitation, and embryos were found in diapause I. The drought period features the highest temperatures and lowest precipitation, and embryos were found in diapause II. In contrast, during the humid period at the beginning of the rainy season, embryos were found in diapause I, II, and III, associated with the longer photoperiod and high temperatures. These dynamics of the diapause phenotypes can be explained by a combination of the strategies of phenotypic plasticity during flood and drought periods, and bet‐hedging during the humid period. Moreover, the microenvironmental conditions in which embryos were buried could influence developmental trajectories. Developmental Dynamics 246:802–806, 2017. © 2017 Wiley Periodicals, Inc.
Factors restricting the range expansion of the invasive green anoleAnolis carolinensison Okinawa Island, Japan
Authors: Suzuki‐Ohno Yukari , Morita Kenjiro , Nagata Nobuaki , Mori Hideaki , Abe Shintaro , Makino Takashi , Kawata Masakado
Published: May 2017

The green anoleAnolis carolinensisinvaded the Ogasawara Islands in Japan, drove various native species to extinction, and its distribution expanded 14 years after initial establishment.A. carolinensisinvaded Okinawa Island, but it has not expanded its distribution in more than 25 years, although its density is extremely high in the southern region. To determine whetherA. carolinensishas the potential to expand its distribution on Okinawa Island, we performed phylogenetic analysis of mitochondrialND2DNAsequences to study the origin ofA. carolinensisthat invaded Okinawa Island. We further used a species distribution model (MaxEnt) based on the distribution of native populations in North America to identify ecologically suitable areas on Okinawa Island. Nucleotide sequence analysis shows that the invaderA. carolinensisoriginated in the western part of the Gulf Coast and inland areas of the United States and that a portion of the anoles on Okinawa was not introduced via the Ogasawara Islands. The MaxEnt predictions indicate that most areas in Okinawa Island are suitable forA. carolinensis. Therefore,A. carolinensismay have the potential to expand its distribution in Okinawa Island. The predictions indicate that habitat suitability is high in areas of high annual mean temperature and urbanized areas. The values of precipitation in summer in the northern region of Okinawa Island were higher compared with those of North America, which reduced the habitat suitability in Okinawa Island. Adaptation to low temperatures, an increase in the mean temperature through global warming, and an increase in open environments through land development will likely expand the distribution ofA. carolinensisin Okinawa Island. Therefore, we must continue to monitor the introduced populations and be alert to the possibility that city planning that increases open environments may cause their range to expand.
Volatile markers of cholesterol thermal changes
Authors: Derewiaka Dorota , Zaręba Dorota , Obiedziński Mieczysław , Matuszewska‐Janica Aleksandra
Published: May 2017

The goal of the study was to determine profile of volatile compounds and asses the markers of cholesterol transformations during thermal processing using SPME‐GC‐MS technique. The profile of volatile compounds of cholesterol is dependent on the temperature (120, 150, 180 and 220°C) and time (30, 60, 120 and 180 min) used during processing. The highest contents of volatile compounds were observed during thermal processing of cholesterol at 180 and 220°C. The most abundant group of volatiles were carbonyl compounds, for example, aldehydes, ketones and hydrocarbons. Statistical analysis of data allowed to point out markers of cholesterol changes like degradation, oxidation, polymerisation and formation of cholestadienes. 4‐methylpentan‐2‐ol was recognized as possible marker of cholesterol oxidation, 6‐methylheptan‐2‐one was markers of cholesterol degradation and 4‐mehyldec‐2‐ene and 5‐methylhexanal as markers of cholesterol polymerization. Volatile components that can be associated with formation of cholestadienes were 2‐pentanone and 2‐methylheptane.

Practical application: The method reported in this study may be used for determination of volatile compounds in thermally processed sterol standards especially cholesterol. The developed method able us to determine the profile and content of volatiles, which were used during evaluation of cholesterol changes after thermal treatment. The reported data are crucial for assessment of markers of cholesterol degradation, for example, 6‐methylheptan‐2‐one or thermal oxidation, for example, was 4‐methylpentan‐2‐ol. Markers of cholesterol dimerization were 4‐methyldec‐2‐ene and 5‐methylhexanal. Moreover 2‐pentanone and 2‐methylheptane are volatiles which presence can be associated with formation of cholestadienes. This method can be used as evaluation method for changes of sterols, without a need of determination of sterols and other compounds like oxysterol, polymers of cholesterol and cholestadienes.

During heating, cholesterol can undergo few processes for example degradation, polymerisation and oxidation. The aim of this study is to select volatile compounds, which can be used as markers of mentioned above processes. Due to performed SPME‐GC‐MS analysis of aroma components and other component like oxysterols, cholestadienes and cholesterol polymers (determined in previous study) and statistical analysis, it is possible to evaluate the volatile markers of particular processes for example 4‐methylpentan‐2‐one as marker of cholesterol oxidation, 6‐methylheptan‐2‐one as marker of cholesterol degradation and 5‐methylhexanal as dimerization marker.
Highly Regio‐ and Enantioselective γ‐Alkylation of Linear α,β‐Unsaturated Aldehydes
Authors: Kutwal Mahesh S. , Appayee Chandrakumar
Published: May 2017

Asymmetric alkylation is one of the most useful carbon–carbon bond‐forming reactions in synthetic organic chemistry. Chiral‐amine‐catalyzed alkylation reactions often lack regioselectivity owing to multiple reactive centers. In particular, the alkylation of linear 2‐enals through dienamine catalysis produces a mixture of regioisomers owing to reactive α‐ and γ‐positions. A few attempts have been made to mask the α‐reactive center to achieve γ‐selectivity. Controlling the enantioselectivity at the remote γ‐position has also been found to be quite challenging. Herein, we achieved the highly regioselective γ‐alkylation of linear α,β‐unsaturated aldehydes by using trifluoroethanol (TFE) as a cosolvent. Further, we demonstrated in situ kinetic resolution for enantioenrichment of the γ‐alkylated products. This method brings together the activation of an electrophile facilitated by TFE and in situ kinetic resolution to achieve excellent selectivity in dienamine catalysis.
Production of naringenin from D‐xylose with co‐culture of E. coli and S. cerevisiae
Authors: Zhang Wei , Liu Hong , Li Xia , Liu Duo , Dong Xiu‐Tao , Li Fei‐Fei , Wang En‐Xu , Li Bing‐Zhi , Yuan Ying‐Jin
Published: May 2017

Heterologous production of naringenin, a valuable flavonoid with various biotechnological applications, was well studied in the model organisms such as Escherichia coli or Saccharomyces cerevisiae. In this study, a synergistic co‐culture system was developed for the production of naringenin from xylose by engineering microorganism. A long metabolic pathway was reconstructed in the co‐culture system by metabolic engineering. In addition, the critical gene of 4‐coumaroyl‐CoA ligase (4CL) was simultaneously integrated into the yeast genome as well as a multi‐copy free plasmid for increasing enzyme activity. On this basis, some factors related with fermentation process were considered in this study, including fermented medium, inoculation size and the inoculation ratio of two microbes. A yield of 21.16 ± 0.41 mg/L naringenin was produced in this optimized co‐culture system, which was nearly eight fold to that of the mono‐culture of yeast. This is the first time for the biosynthesis of naringenin in the co‐culture system of S. cerevisiae and E. coli from xylose, which lays a foundation for future study on production of flavonoid.
A novel protocol to prepare cell probes for the quantification of microbial adhesion and biofilm initiation on structured bioinspired surfaces using AFM for single‐cell force spectroscopy
Authors: Mulansky Susan , Saballus Martin , Friedrichs Jens , Bley Thomas , Boschke Elke
Published: May 2017

We present a novel protocol that uses single‐cell force spectroscopy to characterize the bacteria‐to‐surface interactions involved in early steps of biofilm formation. Bacteria are immobilized as a monolayer by electrostatic interactions on a polyethylenimine‐coated silica bead, and the Escherichia coli‐bead complex is then glued on a tipless cantilever. We validated our new protocol by comparing to earlier published methods using single bacteria, but in contrast to these, which carry out bacterial attachment to the bead after fixation to the cantilever, our protocol results in more reliable production of usable cell probes. Measurements of interactions of E. coli with bio‐inspired surfaces by single‐cell force spectroscopy yielded comparable detachment forces to those found with the previous methods.
Fabrication of hollow and nonhollow SiO2 nanofibers for removal of cationic dyes from aqueous solutions
Authors: Almasian Arash. , Chizari Fard Ghazaleh. , Maleknia Laleh.
Published: May 2017

In this work, SiO2 hollow (HNF) and non‐hollow (nHNF) nanofibers were successfully fabricated and optimized by combination of electrospinning, sol‐gel and thermal decomposition methods depending. The wall thickness of the HNF was in the range of 10–26 nm depended to the average diameter of the template. The thermal decomposition occurred at two different temperatures of 530 and 1030°C. The effects of the electrospinning conditions, the concentration of SiO2 precursor, and thermal decomposition temperature on the nanofibers morphology were investigated by scanning electron microscopy. The influence of hollow morphology on crystalline phase, thermal resistance, surface charge and BET surface area were investigated by X‐ray diffraction, thermography analysis, zeta potential, and Brunauer‐Emmett‐Teller (BET) analyses, respectively. In addition, the chemical changes occurred in the sol‐gel process were determined by Fourier transform infrared spectroscopy. The result showed higher weight loss and BET surface area values for HNF in comparison to the nHNF after thermal decomposition process. According to results, the temperature applied in thermal decomposition process had a direct influence on properties of nanofibers. Dye removal ability of synthesized nanofibers was investigated by considering adsorption dosage, pH, and dye concentration. Also, the dye adsorption isotherm and kinetic were studied. Nonlinear regression was used to determine the best fit model for each system. To do this, 3 error functions were applied to predict the optimum model. Among various isotherm models, Langmuir model represented the equilibrium adsorption data while kinetic experimental data were well fitted by pseudo‐second‐order model on both adsorbents. © 2017 American Institute of Chemical Engineers Environ Prog, 36: 1390–1404, 2017
Effects of repetitive transcranial magnetic stimulation on improvement of cognition in elderly patients with cognitive impairment: a systematic review and meta‐analysis
Authors: Cheng Calvin Pak Wing , Wong Corine Sau Man , Lee Kelsey Kimyin , Chan Alfred Pui Kam , Yeung Jerry Wing Fai , Chan Wai Chi
Published: May 2017

Objective

This systematic review and meta‐analysis aimed to examine the effects of repetitive transcranial magnetic stimulation (rTMS) on cognitive function in older patients with cognitive impairment.

Methods

A literature search was performed for articles published in English using the 10 databases (MEDLINE, EMBASE, PsycINFO, INSPEC, the Cumulative Index to Nursing and Allied Health Literature Plus, AMED, Biological Sciences, ClinicalTrials.gov, the Cochrane Central Register of Controlled Trials and the Cochrane Database of Systematic Reviews) from their inception to May 2016. The primary outcome was cognitive function as measured by the Mini‐Mental State Examination or the Alzheimer's Disease Assessment Scale‐cognitive subscale.

Results

Seven RCTs were included in the meta‐analysis, with a sample of 107 active and 87 sham rTMS. Active rTMS was found to be more effective in improving cognition (Hedges' g = 0.48; 95% confidence interval 0.12 to 0.84).

Conclusions

High‐frequency rTMS showed a benefit on cognition amongst older patients with mild to moderate Alzheimer's disease. rTMS was shown to have great potential as a safe and well‐tolerated alternative intervention for cognition. Copyright © 2017 John Wiley & Sons, Ltd.
Perioperative practices in thyroid surgery: An international survey
Authors: Maniakas Anastasios , Christopoulos Apostolos , Bissada Eric , Guertin Louis , Olivier Marie‐Jo , Malaise Jacques , Ayad Tareck
Published: May 2017

Background

Perioperative practices in thyroid surgery vary from one specialty, institution, or country to the next. We evaluated the preoperative, intraoperative, and postoperative practices of thyroid surgeons focusing on preoperative ultrasound, vocal cord evaluation, wound drains, and hospitalization duration, among others.

Methods

A survey was sent to 7 different otolaryngology and endocrine/general surgery associations.

Results

There were 965 respondents from 52 countries. Surgeon‐performed ultrasound is practiced by more than one third of respondents. Otolaryngologists perform preoperative and postoperative vocal cord evaluation more often than endocrine/general surgeons (p < .001). Sixty percent of respondents either never place drains or place drains <50% of the time in thyroid lobectomies (43% for total thyroidectomies). Outpatient thyroid surgery is most frequently performed by surgeons in the United States (63%).

Conclusion

This epidemiologic study is the first global thyroid survey of its kind and clearly demonstrates the variability and evolving trends in thyroid surgery. © 2017 Wiley Periodicals, Inc. Head Neck 39: 1296–1305, 2017
Magnetic resonance elastography measured shear stiffness as a biomarker of fibrosis in pediatric nonalcoholic fatty liver disease
Authors: Schwimmer Jeffrey B. , Behling Cynthia , Angeles Jorge Eduardo , Paiz Melissa , Durelle Janis , Africa Jonathan , Newton Kimberly P. , Brunt Elizabeth M. , Lavine Joel E. , Abrams Stephanie H. , Masand Prakash , Krishnamurthy Rajesh , Wong Kelvin , Ehman Richard L. , Yin Meng , Glaser Kevin J. , Dzyubak Bogdan , Wolfson Tanya , Gamst Anthony C. , Hooker Jonathan , Haufe William , Schlein Alexandra , Hamilton Gavin , Middleton Michael S. , Sirlin Claude B.
Published: May 2017

Magnetic resonance elastography (MRE) is a promising technique for noninvasive assessment of fibrosis, a major determinant of outcome in nonalcoholic fatty liver disease (NAFLD). However, data in children are limited. The purpose of this study was to determine the accuracy of MRE for the detection of fibrosis and advanced fibrosis in children with NAFLD and to assess agreement between manual and novel automated reading methods. We performed a prospective, multicenter study of two‐dimensional (2D) MRE in children with NAFLD. MR elastograms were analyzed manually at two reading centers, and using a new automated technique. Analysis using each approach was done independently. Correlations were determined between MRE analysis methods and fibrosis stage. Thresholds for classifying the presence of fibrosis and of advanced fibrosis were computed and cross‐validated. In 90 children with a mean age of 13.1 ± 2.4 years, median hepatic stiffness was 2.35 kPa. Stiffness values derived by each reading center were strongly correlated with each other (r = 0.83). All three analyses were significantly correlated with fibrosis stage (center 1, ρ = 0.53; center 2, ρ = 0.55; and automated analysis, ρ = 0.52; P < 0.001). Overall cross‐validated accuracy for detecting any fibrosis was 72.2% for all methods (95% confidence interval [CI], 61.8%‐81.1%). Overall cross‐validated accuracy for assessing advanced fibrosis was 88.9% (95% CI, 80.5%‐94.5%) for center 1, 90.0% (95% CI, 81.9%‐95.3%) for center 2, and 86.7% (95% CI, 77.9%‐92.9%) for automated analysis. Conclusion: 2D MRE can estimate hepatic stiffness in children with NAFLD. Further refinement and validation of automated analysis techniques will be an important step in standardizing MRE. How to best integrate MRE into clinical protocols for the assessment of NAFLD in children will require prospective evaluation. (Hepatology 2017;66:1474–1485)
Hyperglycaemia and aberrated insulin signalling stimulate tumour progression via induction of the extracellular matrix component hyaluronan
Authors: Twarock Sören , Reichert Christina , Peters Ulrike , Gorski Daniel J. , Röck Katharina , Fischer Jens W.
Published: May 2017

Epidemiological studies have detected a higher incidence of various tumour entities in diabetic patients. However, the underlying mechanisms remain insufficiently understood. Glucose‐derived pericellular and extracellular hyaluronan (HA) promotes tumour progression and development. In our study, we tested the hypothesis that a diabetic metabolic state, characterised by hyperglycaemia and concomitant aberrant insulin signalling, stimulates tumour progression via the induction of HA synthesis. In a streptozotocin‐induced diabetic nude mouse tumour xenograft model, hyperglycaemia and lack of insulin caused an increased formation of tumour‐associated HA‐matrix, which in turn accelerated tumour progression and neoangiogenesis. This process was effectively attenuated by treatment with 4‐methylumbelliferone, a pharmacological inhibitor of HA‐synthesis. To define the mechanisms behind these in vivo observations, we investigated the impact of hyperglycaemia and insulin on the glucose metabolism in oesophageal squamous cell cancer cells (ESCC). Hyperglycaemia induced HA synthesis while insulin diminished HA production by directing glucose metabolites to glycolysis. Vice versa, inhibition of glycolysis, either by knockdown of the glycolytic key enzyme phosphofructokinase or by an experimental abrogation of insulin signalling (knockdown of the insulin receptor and long‐term treatment with insulin) augmented HA synthesis. Consequently, these processes induced invasion, anchorage‐independent growth and adhesion of ESCC to endothelial cells in vitro. Thus, the cellular shift in glucose usage from catabolism of glucose to anabolism of HA driven by hyperglycaemia and insulin resistance may represent an important link between diabetes and cancer progression. Hence, therapeutical inhibition of HA synthesis may represent a promising approach for tumour treatment in diabetic patients.
Three‐year cancer incidence in Blantyre, Malawi (2008–2010)
Authors: Chasimpha Steady J.D. , Parkin D. Maxwell , Masamba Leo , Dzamalala Charles P.
Published: May 2017

In this paper, we present incidence rates of different cancers calculated for the population of Blantyre, Malawi for the period 2008–2010, using data from the Malawi Cancer Registry. Active methods were used for case finding, with standard checks for accuracy and validity performed in CanReg 4. During this 3‐year period, a total of 3,711 cases were registered comprising 1,643 men (an estimated age‐standardized incidence rate (ASR) of 169.8 per 100,000) and 2,068 women (ASR 238.7 per 105). Kaposi sarcoma (KS) was the most common cancer in men (40.5% of all cancers in men; ASR 54.0 per 105) while cervical cancer was the commonest in women (33.3%; ASR 88.6 per 105). The incidence rates for esophageal cancer remain one of the highest in the world (ASR 30.9 per 100,000 in men, 22.1 per 100,000 in women). Incidence of cancer of the prostate is relatively low in Blantyre (5.1%; ASR 16.4 per 105), compared with elsewhere in Africa. In childhood, the cancer spectrum is dominated by Burkitt lymphoma (32.5% ASR 90.9 per 106) followed by Wilms tumor (11.3%; ASR 35.9 per 106) and pediatric KS (11.0%; ASR 31.1 per 106). The overall percentage of cases with histological verification was 47.5%, a slight improvement from 42.4% in late 1990s also indicating successful case finding outside laboratories.
Accuracy of finite‐difference harmonic frequencies in density functional theory
Authors: Liu Kuan‐Yu , Liu Jie , Herbert John M.
Published: May 2017

Analytic Hessians are often viewed as essential for the calculation of accurate harmonic frequencies, but the implementation of analytic second derivatives is nontrivial and solution of the requisite coupled‐perturbed equations engenders a sizable memory footprint for large systems, given that these equations are not required for energy and gradient calculations in density functional theory. Here, we benchmark the alternative approach to harmonic frequencies based on finite differences of analytic first derivatives, a procedure that is amenable to large‐scale parallelization. Not only for absolute frequencies but also for isotopic and conformer‐dependent frequency shifts in flexible molecules, we find that the finite‐difference approach exhibits mean errors < 0.1 cm−1 as compared to results based on an analytic Hessian. For very small frequencies corresponding to nonbonded vibrations in noncovalent complexes (for which the harmonic approximation is questionable anyway), the finite‐difference error can be larger, but even in these cases the errors can be reduced below 0.1 cm−1 by judicious choice of the displacement step size and a higher‐order finite‐difference approach. The surprising accuracy and robustness of the finite‐difference results suggests that availability of the analytic Hessian is not so important in today's era of commodity processors that are readily available in large numbers. © 2017 Wiley Periodicals, Inc.
Combination diagnosis of multi‐slice spiral computed tomography and secretary phospholipase A2‐IIa for solitary pulmonary nodules
Authors: Hou Hongjun , Xu Zushan , Zhang Hongsheng , Xu Yan
Published: May 2017

Introduction

This study was aimed to compare the diagnostic value of multi‐slice spiral computed tomography (CT) and secretary phospholipase A2‐IIa (sPLA2‐IIa) in differentiating between malignant and benign solitary pulmonary nodules (SPNs).

Methods

A total of 223 patients with SPNs (91 patients with malignant SPNs and 132 patients with benign SPNs) were included from Weihai Central Hospital during October 2014 to December 2016. SPN diagnosis was confirmed in all patients using needle biopsy, surgery and bronchoscopy. The patients were managed with dynamic multi‐slice CT scans, and their sPLA2‐IIa levels were also detected. By selecting the area of interest of focus, the perfusion parameters of multi‐slice CT targeting the focus were obtained.

Results

The levels of MTT, PS, BV, BF and sPLA2‐IIa significantly increased with increasing severity of SPNs (P<.05). Notably, BV (area under the ROC curve [AUC]=0.915; 95%CI: 0.88‐0.95; sensitivity=91.21%; specificity=78.79%) showed a higher potential to discriminate patients with malignant SPNs from those with benign SPNs than did BF (AUC=0.712; 95%CI: 0.65‐0.78; sensitivity=72.50%; specificity=59.10%), PS (AUC=0.772; 95%CI: 0.71‐0.84; sensitivity=65.93%; specificity=82.58%) and MTT (AUC=0.600; 95%CI: 0.52‐0.68; sensitivity=52.75%; specificity=78.03%). Finally, the combined diagnostic value of BV and sPLA2‐IIa was quite ideal (AUC=0.947; 95%CI: 0.92‐0.97; sensitivity=85.70%; specificity=92.70%) for malignant and benign SPNs.

Conclusions

The combined diagnostic value of BV and sPLA2‐IIa appeared as a desirable detection method for malignant and benign SPNs.
Characterization of a sandwich ELISA for the quantification of all human periostin isoforms
Authors: Gadermaier Elisabeth , Tesarz Manfred , Suciu Andreea Ana‐Maria , Wallwitz Jacqueline , Berg Gabriela , Himmler Gottfried
Published: May 2017

Background

Periostin (osteoblast‐specific factor OSF‐2) is a secreted protein occurring in seven known isoforms, and it is involved in a variety of biological processes in osteology, tissue repair, oncology, cardiovascular and respiratory systems or allergic manifestations. To analyze functional aspects of periostin, or the ability of periostin as potential biomarker in physiological and pathological conditions, there is the need for a precise, well‐characterized assay that detects periostin in peripheral blood.

Methods

In this study the development of a sandwich ELISA using monoclonal and affinity‐purified polyclonal anti‐human periostin antibodies was described. Antibodies were characterized by mapping of linear epitopes with microarray technology, and by analyzing cross‐reactive binding to human periostin isoforms with western blot. The assay was validated according to ICH/EMEA guidelines.

Results

The monoclonal coating antibody binds to a linear epitope conserved between the isoforms. The polyclonal detection antibody recognizes multiple conserved linear epitopes. Therefore, the periostin ELISA detects all known human periostin isoforms. The assay is optimized for human serum and plasma and covers a calibration range between 125 and 4000 pmol/L for isoform 1. Assay characteristics, such as precision (intra‐assay: ≤3%, inter‐assay: ≤6%), spike‐recovery (83%‐106%), dilution linearity (95%‐126%), as well as sample stability meet the standards of acceptance. Periostin levels of apparently healthy individuals are 864±269 pmol/L (serum) and 817±170 pmol/L (plasma) respectively.

Conclusion

This ELISA is a reliable and accurate tool for determination of all currently known periostin isoforms in human healthy and diseased samples.
Dysregulation of mitochondrial bioenergetics and quality control by HIV‐1 Tat in cardiomyocytes
Authors: Tahrir Farzaneh G. , Shanmughapriya Santhanam , Ahooyi Taha Mohseni , Knezevic Tijana , Gupta Manish K. , Kontos Christopher D. , McClung Joseph M. , Madesh Muniswamy , Gordon Jennifer , Feldman Arthur M. , Cheung Joseph Y. , Khalili Kamel
Published: May 2017

Cardiovascular disease remains a leading cause of morbidity and mortality in HIV‐positive patients, even in those whose viral loads are well controlled with antiretroviral therapy. However, the underlying molecular events responsible for the development of cardiac disease in the setting of HIV remain unknown. The HIV‐encoded Tat protein plays a critical role in the activation of HIV gene expression and profoundly impacts homeostasis in both HIV‐infected cells and uninfected cells that have taken up released Tat via a bystander effect. Since cardiomyocyte function, including excitation‐contraction coupling, greatly depends on energy provided by the mitochondria, in this study, we performed a series of experiments to assess the impact of Tat on mitochondrial function and bioenergetics pathways in a primary cell culture model derived from neonatal rat ventricular cardiomyocytes (NRVCs). Our results show that the presence of Tat in cardiomyocytes is accompanied by a decrease in oxidative phosphorylation, a decline in the levels of ATP, and an accumulation of reactive oxygen species (ROS). Tat impairs the uptake of mitochondrial Ca2+ ([Ca2+]m) and the electrophysiological activity of cardiomyocytes. Tat also affects the protein clearance pathway and autophagy in cardiomyocytes under stress due to hypoxia‐reoxygenation conditions. A reduction in the level of ubiquitin along with dysregulated degradation of autophagy proteins including SQSTM1/p62 and a reduction of LC3 II were detected in cardiomyocytes harboring Tat. These results suggest that, by targeting mitochondria and protein quality control, Tat significantly impacts bioenergetics and autophagy resulting in dysregulation of cardiomyocyte health and homeostasis.
What role does the stress response have in congestive heart failure?
Authors: Badreddin Ahmed , Fady Youssef , Attia Hamdy , Hafez Mohamed , Khairallah Ahmed , Johar Dina , Bernstein Larry
Published: May 2017

This review is concerned with cardiac malfunction as a result of an imbalance in protein proteostasis, the homeostatic balance between protein removal and regeneration in a long remodeling process involving the endoplasmic reticulum (ER) and the unfolded protein response (UPR). The importance of this is of special significance with regard to cardiac function as a high energy requiring muscular organ that has a high oxygen requirement and is highly dependent on mitochondria. The importance of mitochondria is not only concerned with high energy dependence on mitochondrial electron transport, but it also has a role in the signaling between the mitochondria and the ER under stress. Proteins made in the ER are folded as a result of sulfhydryl groups (−SH) and attractive and repulsive reactions in the tertiary structure. We discuss how this matters with respect to an imbalance between muscle breakdown and repair in a stressful environment, especially as a result of oxidative and nitrosative byproducts of mitochondrial activity. The normal repair is a remodeling, but under this circumstance, the cell undergoes or even lysosomal “self eating” autophagy, or even necrosis instead of apoptosis. We shall discuss the relationship of the UPR pathway to chronic congestive heart failure (CHF).
Endoscopic ultrasound‐guided retrieval of a toothpick embedded in the stomach wall
Authors: Hu Jinlong , Sun Siyu
Published: May 2017

Patients with the complaint of ingested foreign body commonly present in the emergency department. Radiographic imaging is always done for the purpose of localization. However, radiolucent materials like wood are not easily picked up on CT scan. We report the case of a 33‐year‐old male patient who presented with the complaint of progressive abdominal pain and history of ingestion of a toothpick. It was removed by endoscopic ultrasound‐guided localization‐assisted targeted endoscopic dissection. Endoscopic ultrasound‐guided localization reduced the length and depth of the required incision and helped to minimize the risk of damage to the surrounding tissue. © 2017 Wiley Periodicals, Inc. J Clin Ultrasound 45:603–604, 2017
Potent and selective inhibitors of 11β‐hydroxysteroid dehydrogenase type 1 labeled with carbon‐13 and carbon‐14
Authors: Latli Bachir , Hrapchak Matt , Savoie Jolaine , Zhang Yongda , Busacca Carl A. , Senanayake Chris H.
Published: May 2017

(S)‐6‐(2‐Hydroxy‐2‐methylpropyl)‐3‐((S)‐1‐(4‐(1‐methyl‐2‐oxo‐1,2‐dihydropyridin‐4‐yl)phenyl)ethyl)‐6‐phenyl‐1,3‐oxazinan‐2‐one (1) and (4aR,9aS)‐1‐(1H‐benzo[d]midazole‐5‐carbonyl)‐2,3,4,4a,9,9a‐hexahydro‐1‐H‐indeno[2,1‐b]pyridine‐6‐carbonitrile hydrochloride (2) are potent and selective inhibitor of 11β‐hydroxysteroid dehydrogenase type 1 enzyme. These 2 drug candidates developed for the treatment of type‐2 diabetes were prepared labeled with carbon‐13 and carbon‐14 to enable drug metabolism, pharmacokinetics, bioanalytical, and other studies. In the carbon‐13 synthesis, benzoic‐13C6 acid was converted in 7 steps and in 16% overall yield to [13C6]‐(1). Aniline‐13C6 was converted in 7 steps to 1H‐benzimidazole‐1‐2,3,4,5,6‐13C6‐5‐carboxylic acid and then coupled to a tricyclic chiral indenopiperidine to afford [13C6]‐(2) in 19% overall yield. The carbon‐14 labeled (1) was prepared efficiently in 2 radioactive steps in 41% overall yield from an advanced intermediate using carbon‐14 labeled methyl magnesium iodide and Suzuki‐Miyaura cross coupling via in situ boronate formation. As for the synthesis of [14C]‐(2), 1H‐benzimidazole‐5‐carboxylic‐14C acid was first prepared in 4 steps using potassium cyanide‐14C, then coupled to the chiral indenopiperidine using amide bond formation conditions in 26% overall yield.
Age‐related changes of gustatory function depend on alteration of neuronal circuits
Authors: Iannilli Emilia , Broy Franziska , Kunz Severine , Hummel Thomas
Published: May 2017

Studies on age‐related gustatory function report a reduction of the taste function, but the degeneration of the peripheral papillae alone cannot explain this reduction.

In the present study, we apply psychophysics and gustatory event–related potentials (gERPs) to explore age‐related differences in the processing of gustatory information as indicated by the cerebral sources of the gERP. A total of 96 subjects (47 female), subdivided into four groups with increasing age, participated in the study. After olfactory and gustatory screening for normal function, the subjects were invited to two sessions of gERP acquisition. They received a randomized combination of five isointense basic tastants that were presented at a medium level. At the same time, we recorded scalp electroencephalography (EEG) from 128 scalp locations.

Psychophysical testing for smell and taste function exhibited a significant decrease with age. Topographical analyses of the EEG delineated four basic topographical maps that explained the processing of taste in the pre‐decline age range, with sources inside the relevant gustatory areas. The age‐related change of gustatory processing was associated with the absence of a specific map with sources inside the cerebellum and posterior insula, and the temporal broadening of a map with sources in the bilateral inferior frontal gyrus. These results confirm the hypothesis that the reduction of taste function with aging is not only due to degradation of gustatory peripheral tissues but is also related to different neural signatures in the central nervous system.
Treadmill exercise attenuates 3,4‐methylenedioxymethamphetamine‐induced memory impairment through a decrease apoptosis in male rat hippocampus
Authors: Gharebaghi Alireza , Amiri Iraj , Salehi Iraj , Shahidi Siamak , Komaki Alireza , Mehdizadeh Mehdi , Moravej Fahimeh Ghasemi , Asl Sara Soleimani
Published: May 2017

3,4‐methylenedioxymethamphetamine (MDMA) leads to apoptosis in the hippocampus with consequent induction of learning and memory impairment. In this study, we have investigated the effects of treadmill exercise on memory in relation to apoptosis and oxidative stress in the hippocampi of MDMA‐treated rats. Male Wistar rats received multiple intraperitoneal (IP) injections of MDMA (10 mg/kg) and exercised for one month on a treadmill (simultaneously or asynchronously with MDMA). We assessed memory function with the Morris water maze (MWM) test. Lipid peroxidation (LPO) and expression of caspase 3, Bax, and Bcl‐2 were examined by the thiobarbituric acid assay (TBA) and western blot, respectively. Our results showed that asynchronous treadmill exercise could significantly improve MDMA‐induced memory impairment in the MWM test. Caspase 3 expression decreased in the exercise group compared to the MDMA group. Although MDMA treatment caused an increase in the Bax/Bcl‐2 ratio, the treadmill exercise reduced this ratio. Simultaneous exercise caused a reduction in lipid peroxidation in the hippocampus.

This data suggests that treadmill exercise can be a useful strategy for treating memory impairment in persons with neurodegenerative disease and stimulant drug users. © 2017 Wiley Periodicals, Inc.
Rapid identification and global characterization of multiple constituents from the essential oil of Cortex Dictamni based on GC–MS
Authors: Zhai Weiyu , Liu Jianhua , Liu Qi , Wang Yumei , Yang Dezhu
Published: May 2017

The root of Dictamnus dasycarpus Turcz., also known as Cortex Dictamni, is a Chinese herbal medicine that has been commonly used in the treatment of inflammation, microbial infection, cancer, and other diseases in China for thousands of years. Recently, the essential oil of Cortex Dictamni has been widely studied, and a large number of volatile constituents have been discovered. However, the research of the essential oil of Cortex Dictamni in vivo remains unknown, especially the constituents absorbed into blood after oral administration. Hence, a sensitive and rapid method using gas chromatography with mass spectrometry combined with MassHunter software and the National Institute of Standards and Technology 2014 database was used to investigate the absorbed components in rat serum after oral administration of the essential oil of Cortex Dictamni. With the established method, a total of 36 compounds were screened and identified in the essential oil of Cortex Dictamni based on the mass spectrometry data and compound database. Among them, eight compounds, elemol, thymol methyl ether, β‐eudesmol, β‐cyclocostunolid, guaiazulene, trans‐4‐hydroxystilbene, ethyl oleate, and monoelaidin, were tentatively characterized in rat serum. This work demonstrated that the established method proved to be a powerful technique for rapid, simple, reliable, and automated identification of bioactive components of herbal medicine.
A large eddy simulation study of the formation of deep chlorophyll/biological maxima in un‐stratified mixed layers: The roles of turbulent mixing and predation pressure
Authors: Lewis D. M. , Brereton A. , Siddons J. T.
Published: May 2017

Recent experimental measurements of fluorescence values and turbulent energy dissipation rates, recorded in weakly stratified boundary layers in the open ocean, have highlighted a significant correlation between the formation of deep chlorophyll maxima (DCM) and turbulent mixing. Specifically, the depth of many DCM are observed to lie below, but within about one standard deviation, of the point at which the energy dissipation rate profile reaches its maximum. This correlation of DCM and turbulent mixing is both exciting and curious, as conventional thinking tends to see the latter as a destructive rather than a constructive agent in regards to the formation of deep biological maxima (DBM), for which DCM data is usually interpreted as a proxy. In order to investigate this phenomenon, a three‐dimensional large eddy simulation (LES) of the ocean boundary layer was combined with a generic nutrient‐phytoplankton‐zooplankton (NPZ) type biological model, in order establish what mechanisms might be driving the experimental observations. Simulations of the LES‐NPZ model, based upon various sets of generic biological parameters, demonstrate DCM/DBM formation occurs at normalized depths close to those seen in the experimental observations. The simulations support the hypothesis that the DBM are generated by a combination of zooplankton predation pressure curtailing phytoplankton growth near the surface, and a decline in the strength of the vertical mixing processes advecting nutrient through the boundary layer. In tandem, these produce a region of the water column in which predation pressure is relatively low and nutrient aggregation relatively high, suitable conditions for DBM formation.
Clifford algebra and discretizable distance geometry
Authors: Alves R. , Lavor C. , Souza C. , Souza M.
Published: May 2017

Protein structure calculations using nuclear magnetic resonance (NMR) experiments are one of the most important applications of distance geometry. The chemistry of proteins and the NMR data allow us to define an atomic order, such that the distances related to the pairs of atoms {i−3,i},{i−2,i},{i−1,i} are available, and solve the problem iteratively using a combinatorial method, called branch‐and‐prune. The main step of BP algorithm is to intersect three spheres centered at the positions for atoms i−3,i−2,i, with radius given by the atomic distances di−3,i,di−2,i,di−1,i, respectively, to obtain the position for atom i. Because of uncertainty in NMR data, some of the distances di−3,i may not be precise or even not be available. Using conformal Clifford algebra, in addition to take care of NMR uncertainties, which implies that we have to calculate sphere intersections considering that their centers and radius may not be fixed anymore, we consider a more flexible atomic order, where distances di−3,i are replaced by dj,i, where j⩽i−3. Copyright © 2017 John Wiley & Sons, Ltd.