bluuebunny/crossref_metadata_2025 huggingface dataset:
A study on the release kinetics and mechanisms of vanillin incorporated in almond gum/polyvinyl alcohol composite nanofibers in different aqueous food simulants and simulated saliva
Authors: Rezaei A. , Nasirpour A. , Tavanai H. , Fathi M.
Published: June 2016

Vanillin incorporated almond gum/polyvinyl alcohol (PVA) composite nanofibers were prepared using electrospinning. The release mechanisms and kinetics of incorporated vanillin were evaluated in different aqueous food simulants (distilled water, 10% ethanol, 50% ethanol and 3% acetic acid) and simulated saliva. Vanillin content in different media was determined by high‐performance liquid chromatography (HPLC). Vanillin release data were fitted to first order, Kopcha, Korsmeyer‐Peppas and Peppas‐Sahlin models to evaluate release mechanisms and kinetics. Release kinetics of vanillin in all mentioned media followed a pseudo‐Fickian diffusion mechanism. The vanillin release data in distilled water, 10% ethanol, 50% ethanol and simulated saliva fitted well to Peppas‐Sahlin model with regression coefficients 0.9937, 0.9936 and 0.9912, 0.9903, respectively. The release kinetics of vanillin in 3% acetic acid fitted to the Korsmeyer‐Peppas model with regression coefficient 0.9661. The release study in different aqueous food simulants showed burst release of vanillin within the first 5 min, followed by sustained release for 180 min. Nanofibers showed relatively good stability under dry ambient condition and maintained around 58 percentage of the incorporated vanillin for 90 days. Copyright © 2016 John Wiley & Sons, Ltd.
Accurate Kohn–Sham ionization potentials from scaled‐opposite‐spin second‐order optimized effective potential methods
Authors: Śmiga Szymon , Della Sala Fabio , Buksztel Adam , Grabowski Ireneusz , Fabiano Eduardo
Published: June 2016

One important property of Kohn–Sham (KS) density functional theory is the exact equality of the energy of the highest occupied KS orbital (HOMO) with the negative ionization potential of the system. This exact feature is out of reach for standard density‐dependent semilocal functionals. Conversely, accurate results can be obtained using orbital‐dependent functionals in the optimized effective potential (OEP) approach. In this article, we investigate the performance, in this context, of some advanced OEP methods, with special emphasis on the recently proposed scaled‐opposite‐spin OEP functional. Moreover, we analyze the impact of the so‐called HOMO condition on the final quality of the HOMO energy. Results are compared to reference data obtained at the CCSD(T) level of theory. © 2016 Wiley Periodicals, Inc.
S‐endo‐2‐Norbornyl‐N‐n‐butylcarbamate as a Potential Pseudomonas Lipase Inhibitor to Probe the Enantioselectivity of the Enzyme by Kinetic and Molecular Docking Evaluation
Authors: Shen Yu‐Fang , Chen Gan‐Hong , Lin Shu‐Hsien , Lin Gialih
Published: June 2016

Obesity is a complex health issue and it can cause many health and social problems. Previous studies reported that lipase is a main target for obesity treatment. We synthesized R‐exo‐2‐norbornyl‐N‐n‐butylcarbamate and S‐exo‐2‐norbornyl‐N‐n‐butylcarbamate as potential pseudomonas lipase inhibitors to probe the enantioselectivity of the enzyme and demonstrated that R‐exo‐2‐norbornyl‐N‐n‐butylcarbamate had better enzyme enantioselectivity, ki and the docking model with Pseudomonas species lipase in our previous studies. In this article, we reported the property of the Pseudomonas species lipase inhibitors, R‐and S‐endo‐2‐norbornyl‐N‐n‐butylcarbamate and compared the docking models of these two compounds with R‐ and S‐exo‐2‐norbornyl‐N‐n‐butylcarbamates by AutoDock. We found that S‐endo‐2‐norbornyl‐N‐n‐butylcarbamate has the best enantioselectivity, ki and docking model and this study could provide useful information about enzyme enantioselectivity for the development of Pseudomonas species lipase inhibitors for obesity treatment.
Quality Assessment of Two Spectrophotometric Procedures for Polyphenol Determination and Application in Moltkia petraea Species
Authors: Rodríguez Jadranka Vuković , Grubešić Renata Jurišić , Kremer Dario , Kokot Virna
Published: June 2016

A comparison study of quality of two spectrophotometric procedures: Schneider’s (T‐Sch) and 4‐aminoantipyrine (T‐AAP) procedures for total polyphenols determination was carried out using informative prevalidation strategy. Good quality of the measurements at the lower analyte level, excellent resolution of signals, homogenous data material, ideal linear calibration and analytical evaluation functions, very low limit of quantitation (0.13 μg/mL), and high precision (from ±0.60 % to ±3.43 %) and accuracy (from −4.26 % to +4.00 %) confirmed the high quality of the T‐Sch procedure. Although favorable performance characteristics of T‐AAP procedure were obtained, the signal resolution, sensitivity, precision and accuracy are somewhat lower than in T‐Sch procedure. Both prevalidated procedures were successfully applied to determine total polyphenols in leaves, stems, and flowers in three populations of endemic IllyricBalkan species Moltkia petraea (Tratt.) Griseb. growing in Croatia. Total concentrations of polyphenols obtained by T‐Sch procedure in all plant organs of all populations were somewhat lower than determined by T‐AAP procedure. However, the relative abundance of polyphenols obtained by both methods is the same. Prevalidation results demonstrated the reliability of the T‐AAP and T‐Sch procedures as valuable tools in polyphenols analysis and their application provided new information regarding phytochemical characterization of endemic M. petraea.
Synthesis of 1‐(p‐Sulphophenyl)‐3‐methyl‐5‐pyrazolone Based Acid Dyes and Their Applications on Leather
Authors: Hussain Ghulam , Abbas Nasir , Ather Makshoof , Khan Misbah Ul Ain , Saeed Aamer , Saleem Rashid , Shabir Ghulam
Published: June 2016

A new series of pyrazolone based azo acid dyes (3a–g) has been synthesized starting from 1‐(p‐sul‐phophenyl)‐3‐methyl‐5‐pyrazolone (1). The synthetic methodology included the nitrosation of p‐sulphophenyl methyl pyrazolone followed by reduction, diazotization and coupling with Naphthol AS derivatives (2a–f), in alkaline medium to yield different acid dyes. Multichromic metal complexes of these dyes (5a–f, 6a–f and 7a–f) with 3d transition metals Chromium, Iron and Copper were also synthesized. The structures of all of newly synthesized compounds were confirmed by analytical data and spectroscopic techniques. The synthesized dyes were applied on leather to assess their light fastness, wash fastness and rubbing fastness and were shown to exhibit high values of 4–5 for majority of dyes.
Durability of the virological response after lamivudine discontinuation in lamivudine‐resistant patients with a complete virological response after lamivudine and adefovir combination therapy
Authors: Kim Mi Na , Park Jun Yong , Ahn Sang Hoon , Kim Beom Kyung , Kim Seung Up , Kim Do Young , Han Kwang‐Hyub
Published: June 2016

We investigated the durability of virological response after lamivudine (LAM) discontinuation in LAM‐resistant chronic hepatitis B (CHB) patients with complete virological response after LAM‐adefovir (ADV) combination therapy. We enrolled 58 patients switched to ADV monotherapy with undetectable viral loads (<12 IU/ml) and normal alanine aminotransferase levels after ADV add‐on combination treatment for at least 6 months in LAM‐resistant CHB patients. Virologic relapse was defined as HBV DNA detection at more than 20 IU/ml by quantitative polymerase chain reaction determined on two consecutive measurements. During median 40.9 months of follow‐up (range 11.5–79.0 months), seven (12.1%) patients experienced virological relapse. The cumulative rate of virological relapse at 3 and 5 years was 5.5% and 22.4%, respectively. Two patients had elevated alanine aminotransferase during virological relapse. These seven patients with virological relapse had undetectable HBV DNA after switching to tenofovir therapy. In our study, switching to ADV monotherapy resulted in sustained HBV DNA suppression in 87.9% of the patients during median 40.9 months follow‐up. This adapting step‐down strategy, switching from combination therapy to monotherapy in virologically suppressed CHB patients with stable liver disease, may reduce the cost burden and the risk of potentially harmful effects of combination therapy. J. Med. Virol. 89:85–90, 2017. © 2016 Wiley Periodicals, Inc.
Commitment and Relatedness: How College Students Use Religious Coping to Manage Anxiety
Authors: Schindler Neal , Hope Keely J.
Published: July 2016

Anxiety is a common symptom among college counseling clients. Perhaps because of the unique developmental tasks they face, many later adolescents (ages 18–24 years) use religious coping to manage anxiety. Many counselors are uncertain about how to address religious themes in therapy, if at all. However, most clients of faith do not want counselors to ignore their religious beliefs. In fact, later adolescents may use faith‐based coping mechanisms to navigate the challenges of their developmental stage.
Sedative choice in drug‐induced sleep endoscopy: A neuropharmacology‐based review
Authors: Shteamer Jack W. , Dedhia Raj C.
Published: July 2016

Objective

To examine the suitability of commonly used agents for drug‐induced sleep endoscopy (DISE) based on agent‐specific neuropharmacology.

Data Sources

PubMed.

Review Methods

A literature search of the PubMed database was performed on January 1, 2016. A two‐layered search strategy was performed to identify relevant pharmacologic agents and articles related to neuropharmacology for these agents. The first search identified relevant pharmacologic agents; the second search examined agents with greater than five results from search 1, along with medical subject headings “respiration,” “sleep,” “pharmacology,” and/or “[respective agent] (e.g., propofol).” Articles not in English were excluded. Bibliographies of pertinent articles were hand‐searched for additional articles.

Results

Three agents were commonly identified from search 1: propofol, midazolam, and dexmedetomidine with 44, 13, and 6 results, respectively. Of note, 11 results utilized coinduction with midazolam and propofol. Search 2 for propofol, midazolam, and dexmedetomidine retrieved 219, 220, and 26 results, respectively. Eleven results for propofol, 4 for midazolam, and 9 for dexmedetomidine were found to be related to their neuropharmacology.

Conclusion

The current review demonstrates relatively few investigations seeking to characterize the neuropharmacologic suitability of DISE agents. Compared to propofol and midazolam, dexmedetomidine's mechanism of action appears most likely to induce natural sleep pathways. Further study of its effect on upper airway collapsibility (critical closing pressure) and pharyngeal muscle tone (genioglossus electrode electromyography) are needed. Laryngoscope, 2016 Laryngoscope, 127:273–279, 2017
Current status of auxiliary partial orthotopic liver transplantation for acute liver failure
Authors: Rela Mohamed , Kaliamoorthy Ilankumaran , Reddy Mettu Srinivas
Published: June 2016

Auxiliary partial orthotopic liver transplantation (APOLT) is a technique of liver transplantation (LT) where a partial liver graft is implanted in an orthotopic position after leaving behind a part of the native liver. APOLT was previously considered technically challenging with results inferior to orthotopic liver transplantation. Results of this procedure have continued to improve with improving surgical techniques and a better understanding of the natural history of acute liver failure (ALF) and liver regeneration. The procedure is being increasingly accepted as a valid treatment option for ALF—especially in children. This article reviews the historical background to this operation, advances in the technique, and its current place in the management of ALF. Liver Transplantation 22 1265–1274 2016 AASLD
Exact soliton solution for the fourth‐order nonlinear Schrödinger equation with generalized cubic‐quintic nonlinearity
Authors: Wang Ying , Li Shaohong , Guo Jiyuan , Zhou Yu , Zhou Qingchun , Zhou Shuyu , Zhang Yongsheng
Published: July 2016

In this paper, we investigate the fourth‐order nonlinear Schrödinger equation with parameterized nonlinearity that is generalized from regular cubic‐quintic formulation in optics and ultracold physics scenario. We find the exact solution of the fourth‐order generalized cubic‐quintic nonlinear Schrödinger equation through modified F‐expansion method, identifying the particular bright soliton behavior under certain external experimental setting, with the system's particular nonlinear features demonstrated. Copyright © 2016 John Wiley & Sons, Ltd.
Projective synchronization for coupled partially linear complex‐variable systems with known parameters
Authors: Mahmoud Gamal M. , Mahmoud Emad E. , Arafa Ayman A.
Published: June 2016

The passivity theory is used to achieve projective synchronization in coupled partially linear complex‐variable systems with known parameters. By using this theory, the control law is thus adopted to make state vectors asymptotically synchronized up to a desired scaling factor. This paper deals with sending different large messages which include image and voice signals. The theoretical foundation of the projective synchronization based on the passivity theory is exploited for application to secure communications. The numerical simulations of secure communication are used to send large message, an image and sound (voice) signal. The errors are controlled to zero that show the agreement between theoretical and numerical simulations results. Copyright © 2016 John Wiley & Sons, Ltd.
Blow‐up for the b‐family of equations
Authors: Cortez Fernando
Published: June 2016

In this paper, we consider the b‐family of equations on the torus ut−utxx+(b + 1)uux=buxuxx+uuxxx, which for appropriate values of b reduces to well‐known models, such as the Camassa–Holm equation or the Degasperis–Procesi equation. We establish a local‐in‐space blow‐up criterion. Copyright © 2016 John Wiley & Sons, Ltd.
Heterogeneous virus propagation in networks: a theoretical study
Authors: Yang Luxing , Draief Moez , Yang Xiaofan
Published: June 2016

The node‐based epidemic modeling is an effective approach to the understanding of the impact of the structure of the propagation network on the epidemics of electronic virus. In view of the heterogeneity of the propagation network, a heterogeneous node‐based SIRS model is proposed. Theoretical analysis shows that the maximum eigenvalue of a matrix related to the model determines whether viruses tend to extinction or persist. When viruses persist, the connectedness of the propagation network implies the existence and uniqueness of a viral equilibrium, and a set of sufficient conditions for the global stability of the viral equilibrium are given. Numerical examples verify the correctness of our results. Copyright © 2016 John Wiley & Sons, Ltd.
Expression and regulation of the differentiation regulators ERBB Receptor Feedback Inhibitor 1 (ERRFI1) and Interferon‐related Developmental Regulator 1 (IFRD1) during the periovulatory period in the rat ovary
Authors: Li Fei‐xue , Liu Ying , Miao Xiao‐ping , Fu Guo‐quan , Curry Thomas E.
Published: June 2016

The current study investigated the regulation and the spatiotemporal expression pattern of Errfi1 and Ifrd1, genex encoding factors that regulate differentiation and cessation of cell division, in the rat ovary during the periovulatory period. Immature female rats (22–23 days old) were injected with pregnant‐mare serum gonadotropin to stimulate folliculogenesis, followed by human chorionic gonadotropin (hCG) to induce ovulation. Ovaries, granulosa cells, theca‐interstitial cells, or cumulus oocyte complexes (COCs) were collected at various times after hCG administration (n = 3 per time point). Expression analysis revealed that Errfi1 and Ifrd1 were highly induced in the ovary, although their spatiotemporal expression differed: In situ hybridization analysis demonstrated that Errfi1 mRNA expression was initially induced in theca‐interstitial cells at 4 and 8 hr after hCG, then transitioned to granulosa cells at 12 hr, and decreased in newly forming corpora lutea at 24 hr. Ifrd1 mRNA, on the other hand, was primarily induced in granulosa cells, and expression remained elevated in newly forming corpora lutea. Interestingly, Errfi1 and Ifrd1 were also expressed in the COC, suggesting a potential role in cumulus cell expansion or oocyte maturation. Inhibition of progesterone or prostaglandin synthesis reduced Errfi1 and Ifrd1 transcription, whereas inhibition of epidermal growth factor signaling inhibited only Errfi1 mRNA abundance. Down‐regulation of both genes led to further suppression of progesterone. Our findings thus suggest that the stimulation of Errfi1 and Ifrd1 may be important for theca and granulosa cell differentiation and COC expansion. Mol. Reprod. Dev. 83: 714–723, 2016 © 2016 Wiley Periodicals, Inc.
One clinic's experience with carbon fiber orthoses in neuromuscular disease
Authors: Mnatsakanian Ani , Kissel John T. , Terry Philip , King Wendy M.
Published: June 2016

Introduction: The purpose of this study was to summarize our experience with off‐the‐shelf anterior shell carbon fiber ankle–foot orthoses (CFAFOs) prescribed to adult neuromuscular patients in an outpatient clinic. Methods: We studied ambulatory patients who were seen in Muscular Dystrophy Association or amyotrophic lateral sclerosis clinics between 2011 and 2014 and prescribed anterior shell CFAFOs. Charts were reviewed with attention to diagnosis, satisfaction with use, and reasons for acceptance or rejection. We included individuals who were currently using AFOs and those being prescribed AFOs for the first time. We were especially interested in reasons for acceptance or rejection of the orthosis. Results: Two hundred eighty‐three charts were reviewed. Of these, 109 of 123 (89%) patients were satisfied or extremely satisfied with the anterior shell CFAFOs, including 38 who had previously used other styles. Conclusion: Anterior shell CFAFOs should be considered for most neuromuscular patients with distal leg weakness. Muscle Nerve 55: 202–205, 2017
Consensus of recommendations guiding comparative effectiveness research methods
Authors: Morton Jacob B. , McConeghy Robert , Heinrich Kirstin , Gatto Nicolle M. , Caffrey Aisling R.
Published: July 2016

Purpose

Because of an increasing demand for quality comparative effectiveness research (CER), methods guidance documents have been published, such as those from the Agency for Healthcare Research and Quality (AHRQ) and the Patient‐Centered Outcomes Research Institute (PCORI). Our objective was to identify CER methods guidance documents and compare them to produce a summary of important recommendations which could serve as a consensus of CER method recommendations.

Methods

We conducted a systematic literature review to identify CER methods guidance documents published through 2014. Identified documents were analyzed for methods guidance recommendations. Individual recommendations were categorized to determine the degree of overlap.

Results

We identified nine methods guidance documents, which contained a total of 312 recommendations, 97% of which were present in two or more documents. All nine documents recommended transparency and adaptation for relevant stakeholders in the interpretation and dissemination of results. Other frequently shared CER methods recommendations included: study design and operational definitions should be developed a priori and allow for replication (n = 8 documents); focus on areas with gaps in current clinical knowledge that are relevant to decision‐makers (n = 7); validity of measures, instruments, and data should be assessed and discussed (n = 7); outcomes, including benefits and harms, should be clinically meaningful, and objectively measured (n = 7). Assessment for and strategies to minimize bias (n = 6 documents), confounding (n = 6), and heterogeneity (n = 4) were also commonly shared recommendations between documents.

Conclusions

We offer a field‐consensus guide based on nine CER methods guidance documents that will aid researchers in designing CER studies and applying CER methods. Copyright © 2016 John Wiley & Sons, Ltd.
Biocompatibility investigations of synthetic melanin and melanin analogue for application in bioelectronics
Authors: Piacenti‐Silva Marina , Matos Adriana Arruda , Paulin João Vitor , Alavarce Rafaela Alves da Silva , de Oliveira Rodrigo Cardoso , Graeff Carlos FO
Published: July 2016

Biocompatibility tests were performed for melanin synthesized in water (W‐Mel) and dimethylsulfoxide (D‐Mel) aiming to evaluate its potential for bioelectronics application. In vitro biocompatibility of melanin was assessed using crystal violet assays with fibroblast cells (NIH3T3) cultured with W‐Mel and D‐Mel extracts in various dilutions. The results show that a high concentration of melanin kills the cells. However, after periods of 48 h incubation, cell viability is significantly favored after treatment with D‐Mel at low concentrations (1:16, 1:32 and 1:64), as opposed to treatment with W‐Mel extracts. Cellular adhesion tests show that fibroblast cells adhere to melanin thin films. These results show that D‐Mel may be an interesting material for application in bioelectronic devices targeted for implants. © 2016 Society of Chemical Industry
Spielfilm auf Spaghetti
Authors: Grusche Sascha
Published: July 2016

Projiziert man ein Schwarzweißvideo durch eine Spektralfolie hindurch auf einen eindimensionalen Schirm, so erscheint beim Blick durch eine Spektralfolie ein regenbogenfarbiges Video. Das frei schwebende Video ist rundum sichtbar und bleibt selbst bei Spiegelung richtig herum orientiert. Dieses Abbildungsverfahren beruht darauf, dass die Spektralfolie übereinander liegende Bilder verschiedener Farbe gegeneinander versetzt. Der beobachtbare Bildversatz kann strahlenoptisch erfasst und wellenoptisch erklärt werden. Damit eignet sich das Experiment sehr gut für den Optikunterricht. Statt Spektralfolien kann man auch Prismen verwenden.
Sie dreht sich, doch unbemerkt
Authors: Hüfner Jörg , Löhken Rudolf
Published: July 2016

Im Streit um den Aufbau des Planetensystems spielte die Eigendrehung der Erde eine zentrale Rolle. Ptolemäus glaubte bewiesen zu haben, dass die Erde ruht und verwarf deshalb das heliozentrische System. Islamische und christliche Wissenschaftler aus dem Mittelalter wiesen ihm Fehler nach und ermöglichten damit die Kopernikanische Revolution. Aber erst aufgrund der Newtonschen Bewegungsgesetze konnten Experimente erdacht werden, darunter das Foucaultsche Pendel, mit denen sich die Eigendrehung der Erde quantitativ nachweisen ließ.
Resonante Kernstreuung bestätigt Supraleitung in H2S
Authors: Rüffer Rudolf
Published: July 2016

Seit der Entdeckung der Hochtemperatur‐Supraleiter im Jahre 1987 setzten enorme Forschungsanstrengungen ein. Sie führten zur Entdeckung von Verbindungen mit immer höheren Sprungtemperaturen. Die bisher höchsten Werte besitzen auf HgBaCaCuO basierende Hochtemperatur‐Supraleiter (∼ 150 K) [1] und der konventionelle Supraleiter H2S (203 K) [2]. In beiden Fällen wird die Supraleitung unter sehr hohem Druck erreicht. Der Nachweis des Meißner‐Ochsenfeld‐Effekts unter diesen extremen Bedingungen gelang unserer internationalen Gruppe mit einer neuen Methode an der European Synchrotron Radiation Facility in Grenoble [3].
The influence of gender on respiratory outcomes in children with bronchopulmonary dysplasia during the first 3 years of life
Authors: Collaco Joseph M. , Aherrera Angela D. , McGrath‐Morrow Sharon A.
Published: June 2016

Introduction: Since premature males are more likely to be diagnosed with bronchopulmonary dysplasia we hypothesized that differences in respiratory outcomes after initial hospital discharge and during the first 3 years of life would exist between females and males diagnosed with BPD. Methods: Subjects with the diagnosis of BPD were recruited from the Johns Hopkins Bronchopulmonary Dysplasia Clinic between 2008 and 2014. Clinical features were assessed through chart review (n = 482). Respiratory morbidities were assessed by caregiver questionnaires at clinic visits (n = 429), including emergency department visits, hospital admissions, systemic steroid use, and antibiotic use for respiratory reasons since the last BPD clinic visit or after initial hospital discharge if assessed at the first visit. Results: Male infants weighed significantly more at birth, had higher birth weight percentiles and were more likely to be non‐white compared to female infants. The frequency of ever acute care use was 36.9% for emergency department visits, 27.4% for hospital admissions, 36.9% for systemic steroid use, and 40.5% for antibiotic use for a respiratory illness. No differences in respiratory morbidities were found between males and females. Females however, tended to be weaned from supplemental oxygen over 3 months later than males. Conclusions: Compared to females with BPD, males were more likely to weigh more, have higher birth weight percentiles and be non‐white. After initial hospital discharge, there were no difference in respiratory morbidities between males and females with BPD. Female infants however were more likely to be weaned from supplemental oxygen at a later age than male infants. Pediatr Pulmonol. 2017;52:217–224. © 2016 Wiley Periodicals, Inc.
Computational exploration of the binding mode of heme‐dependent stimulators into the active catalytic domain of soluble guanylate cyclase
Authors: Agulló Luis , Buch Ignasi , Gutiérrez‐de‐Terán Hugo , Garcia‐Dorado David , Villà‐Freixa Jordi
Published: July 2016

Soluble guanylate cyclase (sGC), the main target of nitric oxide (NO), has been proven to have a significant role in coronary artery disease, pulmonary hypertension, erectile dysfunction, and myocardial infarction. One of its agonists, BAY 41‐2272 (Riociguat), has been recently approved for treatment of pulmonary arterial hypertension (PHA), while some others are in clinical phases of development. However, the location of the binding sites for the two known types of agonists, heme‐dependent stimulators and heme‐independent activators, is a matter of debate, particularly for the first group where both a location on the regulatory (H‐NOX) and on the catalytic domain have been suggested by different authors. Here, we address its potential location on the catalytic domain, the unique well characterized at the structural level, by an “in silico” approach. Homology models of the catalytic domain of sGC in “inactive” or “active” conformations were constructed using the structure of previously described crystals of the catalytic domains of “inactive” sGCs (2WZ1, 3ET6) and of “active” adenylate cyclase (1CJU). Each model was submitted to six independent molecular dynamics simulations of about 1 μs. Docking of YC‐1, a classic heme‐dependent stimulator, to all frames of representative trajectories of “inactive” and “active” conformations, followed by calculation of absolute binding free energies with the linear interaction energy (LIE) method, revealed a potential high‐affinity binding site on the “active” structure. The site, located between the pseudo‐symmetric and the catalytic site just over the loop β2–β3, does not overlap with the forskolin binding site on adenylate cyclases. Proteins 2016; 84:1534–1548. © 2016 Wiley Periodicals, Inc.
THz frequency spectrum of protein–solvent interaction energy using a recurrence plot‐based Wiener–Khinchin method
Authors: Karain Wael
Published: June 2016

The dynamics of a protein and the water surrounding it are coupled via nonbonded energy interactions. This coupling can exhibit a complex, nonlinear, and nonstationary nature. The THz frequency spectrum for this interaction energy characterizes both the vibration spectrum of the water hydrogen bond network, and the frequency range of large amplitude modes of proteins. We use a Recurrence Plot based Wiener–Khinchin method RPWK to calculate this spectrum, and the results are compared to those determined using the classical auto‐covariance‐based Wiener–Khinchin method WK. The frequency spectra for the total nonbonded interaction energy extracted from molecular dynamics simulations between the β‐Lactamase Inhibitory Protein BLIP, and water molecules within a 10 Å distance from the protein surface, are calculated at 150, 200, 250, and 310 K, respectively. Similar calculations are also performed for the nonbonded interaction energy between the residues 49ASP, 53TYR, and 142PHE in BLIP, with water molecules within 10 Å from each residue respectively at 150, 200, 250, and 310 K. A comparison of the results shows that RPWK performs better than WK, and is able to detect some frequency data points that WK fails to detect. This points to the importance of using methods capable of taking the complex nature of the protein–solvent energy landscape into consideration, and not to rely on standard linear methods. In general, RPWK can be a valuable addition to the analysis tools for protein molecular dynamics simulations. Proteins 2016; 84:1549–1557. © 2016 Wiley Periodicals, Inc.
Functional imaging of pharmacological action of SGLT2 inhibitor ipragliflozin via PET imaging using 11C‐MDG
Authors: Mitsuoka Keisuke , Hayashizaki Yuka , Murakami Yoshihiro , Takasu Toshiyuki , Yokono Masanori , Umeda Nobuhiro , Takakura Shoji , Noda Akihiro , Miyoshi Sosuke
Published: July 2016

Sodium‐dependent glucose cotransporter 2 (SGLT2) is a pharmacological target of type 2 diabetes mellitus. The aim of this study was to noninvasively visualize the pharmacological action of a selective SGLT2 inhibitor ipragliflozin in the kidney using positron emission tomography (PET) imaging with 11C‐methyl‐d‐glucoside (11C‐MDG), an SGLT‐specific radio‐labeled substrate. PET imaging with 11C‐MDG in vehicle‐treated rats demonstrated that intravenously injected 11C‐MDG substantially accumulated in the renal cortex, reflecting that the compound was reabsorbed by SGLTs. In contrast, ipragliflozin‐treated rats showed significantly lower uptake of 11C‐MDG in renal cortex in a dose‐related manner, suggesting that ipragliflozin inhibited the renal reabsorption of 11C‐MDG. This method of visualizing the mode of action of an SGLT2 inhibitor in vivo has demonstrated the drug's mechanism in reducing renal glucose reabsorption in kidney in living animals.
Measurement and analysis of thermal conductivity of isotopically controlled silicon layers by time‐resolved X‐ray scattering
Authors: Eon S. , Frieling R. , Plech A. , Bracht H.
Published: June 2016

Nanostructuring is considered to be an efficient way to tailor phonon scattering and to reduce the thermal conductivity while keeping good electronic properties. This can be ideally realized by mass modulation of chemical identical elements. In this work, we report measurements of the crossplane thermal conductivity of isotopically modulated 28Si/30Si multilayer structures and of isotopically pure 28Si layers by means of time‐resolved X‐ray scattering. Compared to earlier investigations, an improved measurement technique has been applied to determine the cooling behavior of a top gold metal layer after laser excitation with picosecond time resolution until thermal equilibration is established. Detailed analysis of the cooling behavior not only confirms a reduced thermal conductivity of 28Si/30Si multilayer structures compared to natural and isotopically enriched 28Si layers but also provides evidence of direct laser heating of the Si layer. This and extrinsic effects affecting the cooling behavior of the gold layer are taken into account to determine the thermal conductivity by means of the pump‐and‐probe measurement technique.
Toward a golden standard in single digit detonation nanodiamond
Authors: Nunn Nicholas , Shenderova Olga
Published: June 2016

In order for the true potential of single digit detonation nanodiamond (SDND) to be realized, successful applications in industrial and commercial settings will need to be found outside of the research community. However, one of the current limitations of the material is the lack of defined standards and means of characterization. Much of the work in the research community has been dedicated toward understanding how the fundamental features of NDs can be modified and controlled; however, there have been no sustained efforts at standardizing these often diverse materials supplied from a number of different vendors. Establishing standardization will only become more important as the need to pass industrial or governmental regulations arises as new and diverse applications of SDNDs are identified. The implementation of standard protocols will help provide a consistent material that exhibits high monodispersity, high purity, extended colloidal stability, and a homogenous surface chemistry in a wide variety of applications, and would thus be a significant step forward for both the community and the material.
Using SPDY to improve Web 2.0 over satellite links
Authors: Cardaci Andrea , Caviglione Luca , Ferro Erina , Gotta Alberto
Published: June 2016

During the last decade, the Web has grown in terms of complexity, while the evolution of the HTTP (Hypertext Transfer Protocol) has not experienced the same trend. Even if HTTP 1.1 adds improvements like persistent connections and request pipelining, they are not decisive, especially in modern mixed wireless/wired networks, often including satellites. The latter play a key role for accessing the Internet everywhere, and they are one of the preferred methods to provide connectivity in rural areas or for disaster relief operations. However, they suffer of high‐latency and packet losses, which degrade the browsing experience. Consequently, the investigation of protocols mitigating the limitations of HTTP, also in challenging scenarios, is crucial both for the industry and the academia. In this perspective, SPDY, which is a protocol optimized for the access to Web 2.0 contents over fixed and mobile devices, could be suitable also for satellite links. Therefore, this paper evaluates its performance when used both in real and emulated satellite scenarios. Results indicate the effectiveness of SPDY if compared with HTTP, but at the price of a more fragile behavior when in the presence of errors. Besides, SPDY can also reduce the transport overhead experienced by middleboxes typically deployed by service providers using satellite links. Copyright © 2016 John Wiley & Sons, Ltd.
A review of remote sensing based actual evapotranspiration estimation
Authors: Zhang Ke , Kimball John S. , Running Steven W.
Published: July 2016

Evapotranspiration is a major component of the global water cycle and provides a critical nexus between terrestrial water, carbon and surface energy exchanges. Evapotranspiration is inherently difficult to measure and predict especially at large spatial scales. Remote sensing provides a cost‐effective method to estimate evapotranspiration at regional to global scales. In the past three decades a large number of studies on remote sensing based evapotranspiration estimation have emerged. This review summarizes the basic theories underpinning current remote sensing based evapotranspiration estimation methods. It also lays out the development history of these methods and compares their advantages and limitations. Several key directions for further study are identified and discussed, including identification of uncertainty sources in remote sensing evapotranspiration models, merging of different remote sensing methods, application of data assimilation and fusion techniques in producing robust evapotranspiration estimates, and utilization of multi‐source remote sensing data and latest sensor technologies. Further advances in the remote sensing of evapotranspiration will enhance capabilities for monitoring of the global water and energy cycles, including water availability and ecosystem responses and feedbacks to climate change and human impacts. WIREs Water 2016, 3:834–853. doi: 10.1002/wat2.1168

This article is categorized under:

Science of Water > Hydrological Processes

Science of Water > Methods
A context‐aware cognitive SIMO transceiver for enhanced throughput on the downlink of LTE HetNet
Authors: Mrissa Imen , Bellili Faouzi , Affes Sofiène , Stéphenne Alex
Published: June 2016

In this paper, we design a new single‐input multiple‐output context‐aware cognitive transceiver (CTR) that is able to switch to the best performing modem in terms of link‐level throughput. On the top of conventional adaptive modulation and coding, we allow the proposed CTR to make best selection between three different pilot‐utilization modes: conventional data‐aided (DA) or pilot‐assisted, non‐DA (NDA) or blind, and NDA with pilots, which is a newly proposed hybrid version between the DA and NDA modes. We also enable the CTR to make best selection between two different channel identification schemes: conventional least‐squares (LS) and newly developed maximum‐likelihood estimators. Depending on whether pilot symbols can be exploited or not at the receiver, we further enable the CTR to make the best selection among two data detection modes: coherent or differential. Owing to exhaustive link‐level simulations on the downlink of a long‐term evolution system, we draw out the optimal decision rules in terms of the best combination triplet of pilot‐use, channel‐identification, and data‐detection modes that yield the best link‐level throughput as function of channel type, mobile speed, signal‐to‐noise ratio, and channel quality indicator. The proposed CTR offers a link‐level throughput gains improvement as high as 700% compared with DA LS for VehB channel type at a mobile speed of 100 km/h in the low signal‐to‐noise ratio region. For VehA channels, its throughput gain improvements can reach 114%. For PedA and PedB channels, the proposed CTR provides throughput enhancements of about 66% and 330%, respectively. Moreover, realistic simulations at the system‐level of the long‐term evolution‐HetNet network suggest that the new context‐aware CTR outperforms the conventional transceiver (i.e., pilot‐assisted LS‐type channel estimation with coherent detection) by as much as 50% and 60% gains in average and cell‐edge (i.e., five percentile) throughputs, respectively, in the high‐clustering case with type‐B channels. In the low clustering scenario, the average and cell‐edge throughput gain improvements offered by the proposed CTR exceed 80% and 90% for type‐B channels. Copyright © 2016 John Wiley & Sons, Ltd.
High-frequency effective viscosity of a dilute suspension of particles in Poiseuille flow between parallel walls
Authors: Feuillebois François , Ekiel-Jeżewska Maria L. , Wajnryb Eligiusz , Sellier Antoine , Bławzdziewicz Jerzy
Published: June 2016

It is shown that the formal expression for the effective viscosity of a dilute suspension of arbitrary-shaped particles in Poiseuille flow contains a novel quadrupole term, besides the expected stresslet. This term becomes important for a very confined geometry. For a high-frequency flow field (in the sense used in Feuillebois et al. (J. Fluid Mech., vol. 764, 2015, pp. 133–147), the suspension rheology is Newtonian at first order in volume fraction. The effective viscosity is calculated for suspensions of $N$-bead rods and of prolate spheroids with the same length, volume and aspect ratio (up to 6), entrained by the Poiseuille flow between two infinite parallel flat hard walls. The numerical computations, based on solving the Stokes equations, indicate that the quadrupole term gives a significant positive contribution to the intrinsic viscosity $[{\it\mu}]$ if the distance between the walls is less than ten times the particle width, or less. It is found that the intrinsic viscosity in bounded Poiseuille flow is generally smaller than the corresponding value in unbounded flow, except for extremely narrow gaps when it becomes larger because of lubrication effects. The intrinsic viscosity is at a minimum for a gap between walls of the order of 1.5–2 particle width. For spheroids, the intrinsic viscosity is generally smaller than for chains of beads with the same aspect ratio, but when normalized by its value in the bulk, the results are qualitatively the same. Therefore, a rigid chain of beads can serve as a simple model of an orthotropic particle with a more complicated shape. The important conclusion is that the intrinsic viscosity in shear flow is larger than in the Poiseuille flow between two walls, and the difference is significant even for relatively wide channels, e.g. three times wider than the particle length. For such confined geometries, the hydrodynamic interactions with the walls are significant and should be taken into account.
Frasnian Late Devonian conodont biostratigraphy in New York: graphic correlation and taxonomy
Authors: Klapper Gilbert , Kirchgasser William T.
Published: July 2016

Two regional composite sections in the Frasnian, Upper Devonian, of New York State result from graphic correlation of conodont species. The first extends from Frasnian conodont zones 3 to 7, the second from Frasnian zones 11 to 13c (we prefer this terminology to “Montagne Noire” or “MN” zonation as the zone-defining species occur throughout the Devonian tropics). Key beds, widely traceable bases of prominent black shales, have been used with only a few exceptions to position the lines of correlation (LOC) in the graphs. Other key beds, not used for positioning, fall exactly on the LOC supporting the hypothesis of their synchrony. Fifty-five conodont species in the New York regional composites are compared with their ranges in the global Frasnian Composite Standard proving no major discrepancies. The taxonomy ofAncyrodella nodosaUlrich and Bassler, widely misidentified in the past, has been clarified through restudy of the type specimens, resulting in its distinction fromA.hamataUlrich and Bassler (=A.buckeyensisStauffer). A new species ofPolygnathellusBassler, which is restricted to Frasnian Zone 4, is kept in open nomenclature because the rarity of specimens is insufficient to determine the extent of intraspecifc variation and whether one or two species are represented in our New York and Western Australian collections.
Evidence of active shortening along the eastern border of the San Rafael basement block: characterization of the seismic source of the Villa Atuel earthquake (1929), Mendoza province, Argentina
Authors: BRANELLEC M. , NIVIÈRE B. , CALLOT J.-P. , REGARD V. , RINGENBACH J.-C.
Published: June 2016

On the 30 May 1929, a massive earthquake occurred in the San Rafael area (southern Mendoza province) leading to the destruction of the Villa Atuel and Las Malvinas towns. The region affected by the ground shaking covers a large part of southern South America. Although no surface breaks have been detected on the surface, several authors have pointed out active faults that could be related to the event of 1929. Using satellite imagery and field observations, we investigated two active faults situated on the eastern border of the San Rafael Block (SRB) close to or within the epicentral area. The most prominent faults are thec.40 km long Las Malvinas andc.30 km long Cerro Negro reverse faults which are located near the epicentral area. Geological and morphological observations allow us to describe late Pleistocene activity and estimate the long-term slip rates of these faults. Possible ruptures that match our observations and which are compatible with the cartographic length of these faults would account for a seismic moment magnitude ofM0= 2.8×1019N m and a moment magnitude ofMW= 6.9. The morphological signatures of these fault segments and the occurrence of the San Rafael earthquake suggests that the southern Mendoza Province is still currently submitted to shortening.
A cubic surface of revolution
Authors: Villarino Mark B.
Published: June 2016

A well-known exercise in classical differential geometry [1, 2, 3] is to show that the set of all points (x, y, z) ∈ ℝ3 which satisfy the cubic equation

is a surface of revolution.

The standard proof ([2], [3, p. 11]), which, in principle, goes back to Lagrange [4] and Monge [5], is to verify that (1) satisfies the partial differential equation (here written as a determinant)

which characterises any surface of revolution F (x, y, z) = 0 whose axis of revolution has direction numbers (l, m, n) and goes through the point (a, b, c). This PDE, for its part, expresses the geometric property that the normal line through any point of must intersect the axis of revolution (this is rather subtle; see [6]). All of this, though perfectly correct, seems complicated and rather sophisticated just to show that one can obtain by rotating a suitable curve around a certain fixed line. Moreover, to carry out this proof one needs to know a priori just what this axis is, something not immediately clear from the statement of the problem. Nor does the solution give much of a clue as to which curve one rotates.

A search of the literature failed to turn up a treatment of the problem which differs significantly from that sketched above (although see [1]).

The polynomial (1) is quite famous and has been the object of numerous algebraical and number theoretical investigations. See the delightful and informative paper [7].
Cryptic crossnumber puzzles: a setter's perspective
Authors: Cuthbertson Alastair
Published: June 2016

What are (themed) cryptic crossnumber puzzles and where do they appear?

I'll start by answering the second question first, as that is the easier. This rather unusual genre of puzzle appears quarterly as part of the series of Listener crosswords, which found a new home in The Times newspaper following the demise of The Listener magazine in 1991. There is also a monthly on-line crossword magazine called The Magpie, which has a numerical puzzle in each issue. As a result, fans of crossnumber puzzles have sixteen a year to tackle. Themed cryptic crosswords appear much more frequently – perhaps ten times as often.

All Listener puzzles have a title and the setter is given a pseudonym. They are also numbered, and in what follows this reference is given in square brackets following the letter L. Puzzles from the The Magpie are referenced according to the issue of the magazine, using M.
Mathematical Rugby
Authors: Polster Burkard , Ross Marty
Published: June 2016

The December 1978 issue of the Mathematical Gazette [1] contains an elegant and humorous contribution from Anthony Hughes. His Note gives a recipe for determining the optimal spot from which to make a conversion attempt in rugby. Others then elaborated on Hughes' idea; see [2] and [3] in particular. In 1996 Isaksen [4] rediscovered Hughes' results while investigating the kicking of extra points in American gridiron. There are also a number of popularisations and summaries, in which the above results are presented, and in instances rediscovered. The ones of which we are aware are listed in the references; see [5, 6, 7, 8, 9 and 10].
On some subsets of the rational solutions of the equations aX2 + bXY + cY2 = dZ2
Authors: Pla Juan
Published: June 2016

In this note we define and study certain subsets of the solutions of the Diophantine equations of the type

(1)

the coefficients a, b, c and d being integers, with gcd(a, b, c) = 1, and values of the unknowns X, Y and Z sought in rational numbers or integers, with X, Y, Z not all zero. Since (1) is a homogeneous equation it is elementary to pass from rational solutions to integral ones, and also in reverse. We chose to work with rational numbers because of the flexibility in computation they allow. This flexibility will enable us to prove that, under certain conditions, with three distinct solutions we can build infinite subsets of new solutions of (1), the properties of which are the main topic of this note.

As documented by L. E. Dickson [1], formulae said to give all the solutions, either of this general equation (1) or some particular cases, have appeared in the literature at least since the first half of the 17th century. Dickson himself provided the general formulae expressing all the solutions of (1) in rational numbers from an already found particular solution [2, pp. 44-45]. Similar study and formulae are part of a recent article [3, Lemma 2-1] where the solutions of (1) are applied to the study of a particular lattice. In essence these formulae prove that from any single solution of (1) we can compute all the others, which form an infinite set.