bluuebunny/crossref_metadata_2025 huggingface dataset:
Association of copy number polymorphisms at the promoter and translated region of COMT with Japanese patients with schizophrenia
Authors: Higashiyama Ryoko , Ohnuma Tohru , Takebayashi Yuto , Hanzawa Ryo , Shibata Nobuto , Yamamori Hidenaga , Yasuda Yuka , Kushima Itaru , Aleksic Branko , Kondo Kenji , Ikeda Masashi , Hashimoto Ryota , Iwata Nakao , Ozaki Norio , Arai Heii
Published: February 2016

Chromosome 22q11.2 deletion syndrome and genetic variations including single‐nucleotide polymorphism (SNP) and copy number variation (CNV) in catechol‐O‐methyltransferase (COMT) situated at 22q11.2 remains controversial. Here, the genetic relationship between COMT and Japanese patients with schizophrenia was investigated by examining whether the SNPs correlated with schizophrenia based on a common disease–common variant hypothesis. Additionally, 22q11.2DS were screened based on a common disease–rare variant hypothesis; low‐frequency CNVs situated at two COMT promoters and exons were investigated based on the low‐frequency variants with an intermediate effect; and positive findings from the first stage were reconfirmed using a second‐stage replication study including a larger sample size. Eight SNPs and 10 CNVs were investigated using Taqman SNP and CNV quantitative real‐time polymerase chain reaction method. For the first‐stage analysis, 513 unrelated Japanese patients with schizophrenia and 705 healthy controls were examined. For the second‐stage replication study, positive findings from the first stage were further investigated using a larger sample size, namely 1,854 patients with schizophrenia and 2,137 controls. The first‐stage analysis showed significant associations among schizophrenia, intronic SNP rs165774, CNV6 situated at promoter 1, CNV8 at exon 6, and CNV9 at exon 7. The second‐stage study showed that intronic SNP rs165774 (χ2 = 8.327, P = 0.0039), CNV6 (χ2 = 19.66, P = 0.00005), and CNV8 (χ2 = 16.57, P = 0.00025) were significantly associated with schizophrenia. Large and rare CNVs as well as low‐frequency CNVs and relatively small CNVs, namely <30 kb in COMT, may be genetic risk factors for schizophrenia. © 2016 Wiley Periodicals, Inc.
Phenotypic and molecular characterization of focal dermal hypoplasia in 18 individuals
Authors: Bostwick Bret , Fang Ping , Patel Ankita , Sutton V. Reid
Published: February 2016

Focal dermal hypoplasia, or Goltz syndrome, is a highly variable X‐linked dominant disorder with abnormalities in ectoderm and mesoderm derived tissues. Classic clinical features include patchy hypoplastic skin, split hand/foot deformities, and ocular malformations. We aimed to refine the understanding of the phenotypic spectrum and natural history of this disorder and now present multi‐disciplinary clinical description and medical history review for 18 patients with focal dermal hypoplasia. All disease characteristics were analyzed and compiled in aggregate to aid in development of clinical diagnostic criteria. Medical history data unexpectedly revealed that the majority of patients (87%) had undergone tonsillectomy for obstructive sleep apnea, which exposed an important co‐morbidity that is not well described in the literature, but managing physicians should be made aware of. Fifteen of the 18 patients underwent molecular sequencing of PORCN to detect heterozygous or mosaic mutations. Where no mutation was detected, we performed exon‐targeted chromosomal microarray to evaluate for large deletions of the PORCN gene region. We detected a pathogenic genotype in 14 of 15 patients, including one novel chromosomal deletion and four novel PORCN sequence variants. Here, we provide phenotypic summary analysis of 18 patients with focal dermal hypoplasia and propose clinical diagnostic criteria. © 2016 Wiley Periodicals, Inc.
Age‐related changes in molar topography and shearing crest length in a wild population of mountain Gorillas from Volcanoes National Park, Rwanda
Authors: Glowacka Halszka , McFarlin Shannon C. , Catlett Kierstin K. , Mudakikwa Antoine , Bromage Timothy G. , Cranfield Michael R. , Stoinski Tara S. , Schwartz Gary T.
Published: February 2016

Objectives

Great ape teeth must remain functional over long lifespans. The molars of the most folivorous apes, the mountain gorillas, must maintain shearing function for 40+ years while the animals consume large quantities of mechanically challenging foods. While other folivorous primates experience dental senescence, which compromises their occlusal surfaces and affects their reproductive success as they age, it is unknown whether dental senescence also occurs in mountain gorillas. In this article, we quantified and evaluated how mountain gorilla molars change throughout their long lifespans.

Materials and Methods

We collected high‐resolution replicas of M1s (n = 15), M2s (n = 13), and M3s (n = 11) from a cross‐sectional sample of wild mountain gorilla skeletons from the Virunga Volcanoes, ranging in age from 4 to 43 years. We employed dental topographic analyses to track how aspects of occlusal slope, angularity, relief index, and orientation patch count rotated change with age. In addition, we measured the relative length of shearing crests in two‐ and three‐dimensions.

Results

Occlusal topography was found to decrease, while 2D relative shearing crest length increased, and 3D relative crest lengths were maintained with age.

Discussion

Our findings indicate that shearing function is maintained throughout the long lifetimes of mountain gorillas. Unlike the dental senescence experienced by other folivorous primates, mountain gorillas do not appear to possess senesced molars despite their long lifetimes, mechanically challenging diets, and decreases in occlusal topography with age. Am J Phys Anthropol 160:3–15, 2016. © 2016 Wiley Periodicals, Inc.
The application of knemometry to measure childhood short‐term growth among the indigenous Shuar of Ecuador
Authors: Urlacher Samuel S. , Snodgrass J. Josh , Liebert Melissa A. , Cepon‐Robins Tara J. , Gildner Theresa E. , Sugiyama Lawrence S.
Published: February 2016

Objectives

Knemometry, the precise measurement of lower leg (LL) length, suggests that childhood short‐term (e.g., weekly) growth is a dynamic, nonlinear process. However, owing to the large size and complexity of the traditional knemometer device, previous study of short‐term growth among children has been restricted predominantly to clinical settings in industrialized Western nations. The aim of the present study is to address this limitation and promote broader understandings of global variation in childhood development by: (1) describing a custom‐built portable knemometer and assessing its performance in the field; and (2) demonstrating the potential application of such a device by characterizing childhood short‐term LL growth among the indigenous Shuar of Amazonian Ecuador.

Materials and Methods

Mixed‐longitudinal LL length data were collected weekly from 336 Shuar children age 5–12 years old using the custom portable knemometer (n = 1,145 total observations). Device performance and Shuar short‐term LL growth were explored using linear mixed effects models and descriptive statistics.

Results

The portable knemometer performed well across a range of participant characteristics and possesses a low technical error of measurement of 0.18 mm. Shuar childhood LL growth averages 0.47 mm/week (SD = 0.75 mm/week), but exhibits large between‐ and within‐individual variation.

Discussion

Knemometry can be reliably performed in the field, providing a means for evaluating childhood short‐term growth among genetically and ecologically diverse populations. Preliminary findings suggest that Shuar weekly LL growth is comparable in mean magnitude but likely more variable than reported for healthy Western children. Future work will further explore these patterns. Am J Phys Anthropol 160:353–357, 2016. © 2016 Wiley Periodicals, Inc.
Evaluation of nasal mucociliary transport rate according to nasal septum deviation type
Authors: Dogan Remzi , Tugrul Selahattin , Erdoğan Ezgi Başak , Eren Sabri Baki , Ozturan Orhan
Published: February 2016

Background

Nasal septum deviation (NSD) may affect mucociliary activity (MCA) to varying degrees, depending upon the severity of the deviation. We used rhinoscintigraphy to determine the impact of the various NSD types on MCA.

Methods

A recent classification describing 6 different forms of NSD was used to standardize the study. Forty‐eight subjects were enrolled. Eight patients for each form of NSD were accrued for further study. Rhinoscintigraphy was performed using technetium 99m macroaggregated albumin (99mTc‐MAA) before and 3 months after surgery. Nasal mucociliary transport rate (NMTR), the half‐time of 99mTc‐MAA activity, and clearance rate over a 20‐minute period were compared between groups.

Results

Preoperative NMTR and clearance rates were significantly lower and half‐time was significantly longer in types 4 and 6 than in the other groups. Although the postoperative NMTR and clearance rates increased compared with preoperative values in all groups, the increase was significant only in types 2, 4, and 6. The postoperative half‐time increased significantly compared with the preoperative values in types 2, 4, and 6. The postoperative rhinoscintigraphy evaluation revealed no significant differences among groups in NMTR, half‐time, or clearance rate.

Conclusion

NSD types 4 and 6 had lower preoperative NMTR and clearance rates and a longer half‐time compared with the other groups. However, the postoperative values of these parameters were not significantly different among groups. Our results indicate that NSD types 4 and 6 had the greatest impact on MCA, suggesting that these patients may receive the maximum benefit from septoplasty.
Mikrofluidik aus dem 3D‐Drucker
Authors: Au Anthony K. , Huynh Wilson , Horowitz Lisa F. , Folch Albert
Published: February 2016

Die Entwicklung der weichen Lithographie hat den Weg bereitet für große Fortschritte auf dem Gebiet der Mikrofluidik. Allerdings ist die Fertigung und der Betrieb von Mikrofluidiksystemen auf PDMS‐Basis noch immer arbeitsaufwändig. Hinzu kommen sperrige Steuerungssysteme und unhandliche Benutzerschnittstellen, was insgesamt die Kommerzialisierung dieser Technologie erschwert. Mit dem 3D‐Druck steht nun eine Technik zur Verfügung, die für die Entwicklung von Mikrofluidikelementen ideal geeignet scheint. Dabei verfährt man so, dass im Vorfeld des Fertigungsprozesses eine CAD‐Datei entworfen wird, die später in den Drucker gespeist wird. Es besteht die Möglichkeit eines modularen Designs, das auf unterschiedliche Arbeitsteams aufgeteilt werden kann. Mechanisches Verhalten und Strömungsverhalten können vorab anhand von Computermodellen simuliert werden. Der Fertigungsprozess kommt ohne Ätz‐ oder Auflösungsprozesse aus und ist daher umweltschonend und wirtschaftlich. Wir prognostizieren, dass 3D‐Druck in den kommenden Jahren die meisten PDMS‐ und Formgusstechniken im akademischen Bereich ersetzen wird.
Polymeric Nanoparticles Amenable to Simultaneous Installation of Exterior Targeting and Interior Therapeutic Proteins
Authors: Zhu Xi , Wu Jun , Shan Wei , Tao Wei , Zhao Lili , Lim Jong‐Min , D'Ortenzio Mathew , Karnik Rohit , Huang Yuan , Shi Jinjun , Farokhzad Omid C.
Published: February 2016

Effective delivery of therapeutic proteins is a formidable challenge. Herein, using a unique polymer family with a wide‐ranging set of cationic and hydrophobic features, we developed a novel nanoparticle (NP) platform capable of installing protein ligands on the particle surface and simultaneously carrying therapeutic proteins inside by a self‐assembly procedure. The loaded therapeutic proteins (e.g., insulin) within the NPs exhibited sustained and tunable release, while the surface‐coated protein ligands (e.g., transferrin) were demonstrated to alter the NP cellular behaviors. In vivo results revealed that the transferrin‐coated NPs can effectively be transported across the intestinal epithelium for oral insulin delivery, leading to a notable hypoglycemic response.
Ladungsinduziertes Entwinden isolierter Proteine zu einer definierten Sekundärstruktur
Authors: González Flórez Ana Isabel , Mucha Eike , Ahn Doo‐Sik , Gewinner Sandy , Schöllkopf Wieland , Pagel Kevin , von Helden Gert
Published: February 2016

In einer kombinierten experimentellen und theoretischen Studie untersuchen wir die Sekundärstruktur isolierter Proteine in Abhängigkeit ihrer Ladung. In den Infrarotspektren der Proteine Ubiquitin und Cytochrom c treten Amid‐I‐Banden (C=O‐Streckschwingung) und Amid‐II‐Banden (N‐H‐Biegeschwingung) an Positionen auf, die typisch für Proteine in der kondensierten Phase sind. Bei hohen Ladungszuständen tritt eine neue Bande auf, die eine wesentliche Rotverschiebung zur Amid‐II‐Bande niedrigerer Ladungszustände aufweist. Diese Beobachtungen lassen sich als Coulomb‐induzierter Übergang aus einer hauptsächlich helikalen in eine gestreckte Sekundärstruktur interpretieren, welche durch C5‐Wasserstoffbrücken gekennzeichnet ist. Gestützt wird diese Deutung durch ein simples elektrostatisches Modell sowie durch quantenchemische Berechnungen an Modellpeptiden. Dieser Übergang der Sekundärstruktur ist aller Voraussicht nach für isolierte Proteine – wie sie in der Massenspektrometrie auftreten – allgemeingültig.
Stereoselective Synthesis of Functionalized Pyrrolidines by the Diverted N−H Insertion Reaction of Metallocarbenes with β‐Aminoketone Derivatives
Authors: Nicolle Simon M. , Lewis William , Hayes Christopher J. , Moody Christopher J.
Published: February 2016

A highly stereoselective route to functionalized pyrrolidines by the metal‐catalyzed diverted N−H insertion of a range of diazocarbonyl compounds with β‐aminoketone derivatives is described. A number of catalysts (rhodium(II) carboxylate dimers, copper(I) triflate, and an iron(III) porphyrin) are shown to promote the process under mild conditions to give a wide range of highly substituted proline derivatives. The reaction starts as a metallocarbene N−H insertion but is diverted by an intermolecular aldol reaction.
Enantioselective Formal Syntheses of 11 Nuphar Alkaloids and Discovery of Potent Apoptotic Monomeric Analogues
Authors: Li Hui , Korotkov Alexander , Chapman Charles W. , Eastman Alan , Wu Jimmy
Published: February 2016

Concise, scalable, and enantioselective formal syntheses of eight dimeric and three monomeric nuphar alkaloids were achieved, along with the construction of a stereochemically diverse collection of the first known monomeric analogues having apoptotic activity. The syntheses involved the development of highly enantioselective Brønsted acid catalyzed vinylogous Mukaiyama–Mannich reactions, which feature the unprecedented use of a supersilyl group to control the regio‐, enantio‐ and diastereoselectivity. Biological studies reveal that several of these novel nuphar analogues are even more potent than their dimeric natural product counterparts.
3D‐Printed Microfluidics
Authors: Au Anthony K. , Huynh Wilson , Horowitz Lisa F. , Folch Albert
Published: February 2016

The advent of soft lithography allowed for an unprecedented expansion in the field of microfluidics. However, the vast majority of PDMS microfluidic devices are still made with extensive manual labor, are tethered to bulky control systems, and have cumbersome user interfaces, which all render commercialization difficult. On the other hand, 3D printing has begun to embrace the range of sizes and materials that appeal to the developers of microfluidic devices. Prior to fabrication, a design is digitally built as a detailed 3D CAD file. The design can be assembled in modules by remotely collaborating teams, and its mechanical and fluidic behavior can be simulated using finite‐element modeling. As structures are created by adding materials without the need for etching or dissolution, processing is environmentally friendly and economically efficient. We predict that in the next few years, 3D printing will replace most PDMS and plastic molding techniques in academia.
A Solvent‐Free Hot‐Pressing Method for Preparing Metal–Organic‐Framework Coatings
Authors: Chen Yifa , Li Siqing , Pei Xiaokun , Zhou Junwen , Feng Xiao , Zhang Shenghan , Cheng Yuanyuan , Li Haiwei , Han Ruodan , Wang Bo
Published: February 2016

Metal–organic frameworks (MOFs), with their well‐defined pores and rich structural diversity and functionality, have drawn a great deal of attention from across the scientific community. However, industrial applications are hampered by their intrinsic fragility and poor processability. Stable and resilient MOF devices with tunable flexibility are highly desirable. Herein, we present a solvent‐ and binder‐free approach for producing stable MOF coatings by a unique hot‐pressing (HoP) method, in which temperature and pressure are applied simultaneously to facilitate the rapid growth of MOF nanocrystals onto desired substrates. This strategy was proven to be applicable to carboxylate‐based, imidazolate‐based, and mixed‐metal MOFs. We further successfully obtained superhydrophobic and “Janus” MOF films through layer‐by‐layer pressing. This HoP method can be scaled up in the form of roll‐to‐roll production and may push MOFs into unexplored industrial applications.
Asymmetric Hydrogenation of Vinylthioethers: Access to Optically Active 1,5‐Benzothiazepine Derivatives
Authors: Li Wei , Schlepphorst Christoph , Daniliuc Constantin , Glorius Frank
Published: February 2016

A novel asymmetric hydrogenation of vinylthioethers was developed using a ruthenium(II) NHC complex. This method provides an efficient approach to optically active 1,5‐benzothiazepines featuring stereocenters with C−S bonds. Excellent enantioselectivities (up to 95 % ee) and high yields (up to 99 %) were obtained for a variety of substrates bearing a range of useful functional groups. Moreover, this methodology could be directly applied to the synthesis of the antidepressant drug R‐(−)‐thiazesim.
Flame retardancy and thermal and mechanical performance of intercalated, layered double hydroxide composites of polyamide 11, aluminum phosphinate, and sulfamic acid
Authors: Zhang Sheng , Tang Wufei , Gu Xiaoyu , Jiang Peng , Sun Jun , Sophie Duquesne , Bourbigot Serge , Casetta Mathilde
Published: February 2016

Sulfamic acid‐intercalated MgAl‐layered double hydroxide (SA‐LDH) was prepared and added with aluminum phosphinate (AlPi) into polyamide 11 (PA11). The results showed that AlPi/SA‐LDH made a positive contribution to both flame retardancy and thermostability, and the effect was demonstrated with the limiting oxygen index (LOI), vertical burning tests (UL‐94), cone calorimetry (CONE), and thermogravimetric analysis (TGA). The char morphologies were observed by SEM, and its chemical composition was investigated by Fourier transform infrared spectroscopy (FTIR). The decomposition mechanism was examined by TGA‐FTIR. The results showed that the LOI of PA11 was only 23.0 and cannot pass any UL‐94 rating. The addition of 20% AlPi increased the LOI to 31.5 and passed the UL‐94 V‐1 rating, and AlPi/SA‐LDH 15%/5% increased the LOI to 32.4 and also passed the UL‐94 V‐1 rating. The CONE results revealed that 20% of either AlPi or AlPi/SA‐LDH brought about a 30% decrease in the peak heat release rate (pHRR). The contribution of SA‐LDH to flame behavior was especially reflected in the postponement of pHRR. SEM showed that the char morphologies became denser after SA‐LDH incorporation. The improvement in thermal stability of the AlPi/SA‐LDH combination was documented by TGA in both N2 and air atmospheres. The mechanical performance deterioration caused by AlPi was partly improved by SA‐LDH. The storage modulus (E′) below the Tg of AlPi/SA‐LDH 15%/5% was about 300 MPa higher than with 20% AlPi. This was attributed to a compatibility improvement. The interaction forces among PA11, AlPi, and SA‐LDH were probed by X‐ray photoelectron spectrometry. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43370.
Application of superporous magnetic cationic cryogels for persistent chromate (toxic chromate and dichromate) uptake from aqueous environments
Authors: Sahiner Nurettin , Demirci Sahin , Sahiner Mehtap , Yilmaz Selehattin
Published: February 2016

Poly((3‐Acrylamidopropyl)trimethylammonium chloride) (p(APTMACl)) cryogels were prepared with cryopolymerization technique and employed for the removal of toxic chromate and dichromate anions from aqueous media. The maximum adsorption capacities of 94 mg/g and 135 mg/g for chromate and dichromate anions, respectively, were determined with the application of the Langmuir isotherm. These values are very close to the experimental values of about 77 and 128 mg/g from 100 mL, 100 ppm chromate, and dichromate solutions using 0.03 g cryogel. The removal efficiency of chromate and dichromate anions were increased with the increase in the amount of cryogel and the removal percentage of chromate and dichromate toxic anions were estimated as 99.21 and 93.61%, respectively, for 0.15 g of p(APTMACl) cryogels used in 100 mL, 100 ppm chromate, and dichromate solutions. Furthermore, magnetic p(APTMACl) cryogels were also prepared and used in the removal of chromate and dichromate, and the maximum adsorption capacities were 30 mg/g and 40 mg/g, respectively. Additionally, the adsorption of these anions were investigated from different media such as drinking water, tap water, seawater, and creek water; and the maximum adsorption amounts in drinking water were 65.5 ± 15, and 125.5 ± 11 mg/g for chromate and dichromate anions, respectively. The reusability of p(APTMACl) cryogels for the removal of chromate and dichromate anions was also investigated, and it was found that the adsorption capacity for chromate anions decreased to 71.23 ± 4.3 from 97.37 ± 4.5 mg/g, whereas the adsorption capacity of dichromate anions only decreased to 123.69 ± 3.5 mg/g from 129.9 ± 7 mg/g at the end of five adsorption‐desorption cycles. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43438.
Passive hygrische Klimatisierung
Authors: Stopp Horst , Schmidt Wolfgang , Strangfeld Peter
Published: February 2016

Ein ureigenes Ziel der Bauphysik besteht im Errichten von Gebäuden, deren Raumklima auch ohne zusätzliche Gerätetechnik weitgehend heutigen Behaglichkeitsmaßstäben für Wohnungen und Anforderungen öffentlich genutzter Gebäude entspricht. Einen Beitrag hierzu liefern u. a. hygroskopisch wirksame Raumbegrenzungsflächen mit gezielt modifizierten hygrischen Kennwerten.

Passive measures for hygric indoor climate regulation. One of the primary objectives in building physics is to construct buildings with indoor air conditions that meet current standards of comfort for residential and public buildings, wherever possible without any additional air conditioning technology. Using ‘hygroscopic’ surfaces with specifically modified hygric values as room boundaries can help achieve this objective.
The Impact of Culture on Loss Aversion
Authors: Wang Mei , Rieger Marc Oliver , Hens Thorsten
Published: February 2016

Based on the literature on the relationship between culture, emotion, and loss aversion, we derive that culture can influence the degree of loss aversion. To test our hypotheses, we conduct a standardized survey in 53 countries worldwide that includes the questions from the Hofstede survey on cultural dimensions as well as lottery questions on loss aversion. The results show that individualism, power distance, and masculinity increase loss aversion as predicted, whereas the impact of uncertainty avoidance is less significant. Moreover, we also find a relation between the distribution of major religions in a country and loss aversion. In comparison, the connection of loss aversion to macroeconomic variables seems to be much smaller. Copyright © 2016 John Wiley & Sons, Ltd.
Combining Emotion Appraisal Dimensions and Individual Differences to Understand Emotion Effects on Gift Giving
Authors: De Hooge Ilona E.
Published: February 2016

Multiple studies have revealed that emotion appraisal dimensions can predict the effects of emotions on decision making. For example, givers' intention to buy gifts depends on whether they feel positive or negative (valence) and on whether the feeling is caused by the givers themselves or by gift receivers (agency). However, there is little understanding of how the effects of such appraisal dimensions might depend on individual characteristics. The current research addresses this gap by studying the interaction effects of emotions and individual characteristics on gift giving. Study 1 demonstrates that emotion effects on gift‐giving behavior are explained by two things: the cause of those emotions (self or others, agency) and whether those emotions are positive or negative (valence). Moreover, four studies reveal that these effects depend on the givers' interpersonal orientation. For high interpersonally oriented givers, who care mostly about interpersonal relationships, emotion effects on gift giving depend on both valence and agency. In contrast, for low interpersonally oriented givers, who care mostly about their own gains, emotion effects on gift giving depend only on valence. Together, these findings suggest that although a focus on appraisal dimensions can be useful, individual characteristics should also be taken into account when trying to understand emotion effects on gift giving, in particular, and on decision making, in general. Copyright © 2016 John Wiley & Sons, Ltd.
Least squares regression methods for clustered ROC data with discrete covariates
Authors: Tang Liansheng Larry , Zhang Wei , Li Qizhai , Ye Xuan , Chan Leighton
Published: February 2016

The receiver operating characteristic (ROC) curve is a popular tool to evaluate and compare the accuracy of diagnostic tests to distinguish the diseased group from the nondiseased group when test results from tests are continuous or ordinal. A complicated data setting occurs when multiple tests are measured on abnormal and normal locations from the same subject and the measurements are clustered within the subject. Although least squares regression methods can be used for the estimation of ROC curve from correlated data, how to develop the least squares methods to estimate the ROC curve from the clustered data has not been studied. Also, the statistical properties of the least squares methods under the clustering setting are unknown. In this article, we develop the least squares ROC methods to allow the baseline and link functions to differ, and more importantly, to accommodate clustered data with discrete covariates. The methods can generate smooth ROC curves that satisfy the inherent continuous property of the true underlying curve. The least squares methods are shown to be more efficient than the existing nonparametric ROC methods under appropriate model assumptions in simulation studies. We apply the methods to a real example in the detection of glaucomatous deterioration. We also derive the asymptotic properties of the proposed methods.
Porous Two‐Dimensional Transition Metal Carbide (MXene) Flakes for High‐Performance Li‐Ion Storage
Authors: Ren Chang E. , Zhao Meng‐Qiang , Makaryan Taron , Halim Joseph , Boota Muhammad , Kota Sankalp , Anasori Babak , Barsoum Michel W. , Gogotsi Yury
Published: February 2016

Herein we develop a chemical etching method to produce porous two‐dimensional (2D) Ti3C2Tx MXenes at room temperature in aqueous solutions. The as‐produced porous Ti3C2Tx (p‐Ti3C2Tx) have larger specific surface areas and more open structures than their pristine counterparts, and can be fabricated into flexible films with, or without, the addition of carbon nanotubes (CNTs). The as‐fabricated p‐Ti3C2Tx/CNT films showed significantly improved lithium ion storage capabilities compared to pristine Ti3C2Tx based films, with a very high capacity of ≈1250 mAh g−1 at 0.1 C, excellent cycling stability, and good rate performance (330 mAh g−1 at 10 C). Using the same chemical etching method, we also made porous Nb2CTx and V2CTx MXenes. Therefore, this study provides a simple, yet effective, procedure to introduce pores into MXenes and possibly other 2D sheets that in turn, can enhance their electrochemical properties.
Facile Synthesis of Nitrogen‐Containing Mesoporous Carbon for High‐Performance Energy Storage Applications
Authors: Xu Yunling , Wang Jie , Chang Zhi , Ding Bing , Wang Ya , Shen Laifa , Mi Changhuan , Dou Hui , Zhang Xiaogang
Published: February 2016

Porous carbon with high specific surface area (SSA), a reasonable pore size distribution, and modified surface chemistry is highly desirable for application in energy storage devices. Herein, we report the synthesis of nitrogen‐containing mesoporous carbon with high SSA (1390 m2 g−1), a suitable pore size distribution (1.5–8.1 nm), and a nitrogen content of 4.7 wt % through a facile one‐step self‐assembly process. Owing to its unique physical characteristics and nitrogen doping, this material demonstrates great promise for application in both supercapacitors and encapsulating sulfur as a superior cathode material for lithium–sulfur batteries. When deployed as a supercapacitor electrode, it exhibited a high specific capacitance of 238.4 F g−1 at 1 A g−1 and an excellent rate capability (180 F g−1, 10 A g−1). Furthermore, when an NMC/S electrode was evaluated as the cathode material for lithium–sulfur batteries, it showed a high initial discharge capacity of 1143.6 mA h g−1 at 837.5 mA g−1 and an extraordinary cycling stability with 70.3 % capacity retention after 100 cycles.
Adsorption of Basic Yellow 28 onto chemically‐modified activated carbon: Characterization and adsorption mechanisms
Authors: Aguiar Catia R. L. , Fontana Éliton , Valle José A. B. , Souza Antônio A. U. , Morgado Ayres F. , Souza Selene M. A. G. U.
Published: February 2016

Adsorption processes have been investigated and successfully applied in the removal of dyes from textile plant wastewaters. Activated carbon is one of the most commonly used adsorbents, due to its excellent characteristics and relatively low cost. However, its dye removal efficiency depends on several parameters, notably the chemical nature of the carbon surface. To enhance the adsorption capacity, different methods have been proposed in the literature, chemical modification using acidic agents being one of the most commonly used. In this study, the performance of samples of activated carbon chemically modified with nitric and phosphoric acid in the adsorption of Basic Yellow 28 is evaluated. The physical and chemical structure of these adsorbents was investigated using electron microscopy, X‐ray spectrometry, and infrared spectroscopy, revealing significant modifications depending on the agent used. Adsorption tests were conducted at three different temperatures and the adsorption kinetics and isotherms were evaluated. Comparing the experimental data and results obtained with models reported in the literature showed that in both cases the pseudo‐second order kinetics model and the Freundlich isotherms provided the closest fits. The samples modified with nitric acid presented better overall performance, particularly due to pore collapse observed for the samples treated with phosphoric acid, which caused a significant reduction in the surface area and total pore volume. These results indicate that the chemically‐modified activated carbon can be employed in the removal of basic dyes from textile effluents, allowing the reuse of the effluent.
Thermal History Reconstruction Based on Multiple Paleo‐Thermal Records of the Yazihe Area, Western Sichuan Depression, SW China
Authors: Chuan‐Qing ZHU , Nan‐Sheng QIU , Qiang JIANG , Sheng‐Biao HU , Shuo ZHANG
Published: February 2016

The thermal history of boreholes in the western Sichuan depression was reconstructed using paleo‐temperature indicators, such as vitrinite reflectance (Ro), apatite fission track (AFT) and the illite crystallinity index (IC index). The maximum paleo‐temperatures reconstructed based on different indicators were compared. The results showed that the western Sichuan depression has experienced a continuous process of denudation and cooling since the late Cretaceous (K3), resulting in a geothermal gradient reduction from ∼26 °C·km−1 to ∼22 °C·km−1 and the removal of 1.3 to 1.9 km of sediment. The surface area has undergone continuous uplift and denudation from ∼80 Ma to 40 Ma, followed by a thermal quiet period until 2.5 Ma. Since ∼2.5 Ma, the geothermal gradient has risen by ∼5 °C·km−1. In addition, there was high consistency among the paleo‐temperatures that were reconstructed based on different indicators. Relative to Ro and AFT, the illite crystallinity index is still controversial; more research is necessary before it can be used as a maturity and geothermal indicator for sedimentary rock.
Reverse Time Migration of Divided‐Order Multiples
Authors: Peng SONG , Bo ZHU , Jin‐Shan LI , Jun TAN
Published: February 2016

The paper analyzes the imaging theory of the reverse time migration (RTM) of multiples and the generating mechanism of the crosstalk deeply and introduces a strategy of RTM of divided‐order multiples. Firstly, the strategy uses the surface‐related multiple elimination (SRME) to suppress multiples in the original shot gather record to acquire the primary record, and by which each order multiples can be forecasted, then the RTM of each order multiples can be implemented so as to avoid the crosstalk. Model tests show that the real interfaces can be imaged accurately and the crosstalk can be suppressed effectively in the imaging sections of each order multiples based on the strategy of RTM of divided‐order multiples. Furthermore, among all the sections of each order multiples, the section of the first‐order multiples has the highest imaging precision and its imaging quality is better than that of the common RTM of multiples in the deep structures.
Tectonic and Thermal History During the Mesozoic and Cenozoic Stage in Paizhouwan Region, Jianghan Plain, Mid Yangtze Area
Authors: Tian‐Yi LI , Zhi‐Liang HE , Sheng HE , Yan ZHOU , Dong‐Sheng SUN , Yu‐Jin WO , Xing‐Ye YANG , Li WANG
Published: February 2016

In this paper, apatite and zircon fission track and (U‐Th)/He dating, vitrinite reflectance analysis and basin modeling are carried out, for more clearly understanding the tectonic and thermal history during the Mesozoic and Cenozoic stage of the Paizhouwan area, eastern Jianghan basin. The analysis results show that the enormous tectonic uplift and erosion, and the formation cooling event during the Mesozoic and Cenozoic stage began at the early Cretaceous (140–130 Ma); the intense tectonic uplift‐cooling process mainly occurred during the early Cretaceous to the late Cretaceous. While there may be some sedimentary strata of the late Cretaceous‐Paleogene stage, the overall deposition thickness is relatively small. There should be large‐scale sediments deposited during the Middle Jurassic or/and Upper Jurassic and even the early Cretaceous strata. The present‐day remnants are thin mainly due to the later successive erosion; the total estimated denudation thickness is about 4300 m. The Mesozoic strata in the studied area reached the maximum paleo‐temperature in the early Cretaceous, rather than at the end of Paleogene sedimentation, the maximum temperature of the bottom Upper Triassic is about 170∼190 °C. The thermal history results also show that the ancient heat flow is relatively stable during the Paleozoic stage. The average value of the heat flow is about 53.64 mW·m−2; the heat flow began to decrease at the early Jurassic, and the lowest is about 48.38 mW·m−2 happened during the beginning of the early Cretaceous approximately.
A Global Optimized Implicit Staggered‐Grid Finite‐Difference Scheme for Elastic Wave Modeling
Authors: Yang WANG , Hong LIU , Heng ZHANG , Zhi‐Yang WANG , Xiang‐De TANG
Published: February 2016

The implicit finite‐difference schemes make the process of numerical simulation possess higher accuracy and stability. However, most of the conventional implicit schemes have the limitation of lower computational efficiency because of the requirement of solving large scale matrix equation. In this paper, we first propose an optimized implicit staggered‐grid finite‐difference scheme based on first order velocity‐stress elastic wave equation. Then we transform the new scheme from the time‐space domain into the time‐wavenumber domain, and construct the objective function by means of the two norm theory. Different from traditional global optimized schemes, we select the simulated annealing algorithm to get optimized coefficients. According to the shot records and wavefield snapshots acquired by homogeneous medium model and complex medium model numerical simulations, the optimized implicit staggered‐grid finite‐difference scheme not only reduces the calculating amount, but also suppresses the numerical dispersion, thus improves the precision of numerical simulation remarkably.
Stabilization of Organic–Inorganic Perovskite Layers by Partial Substitution of Iodide by Bromide in Methylammonium Lead Iodide
Authors: Ruess Raffael , Benfer Felix , Böcher Felix , Stumpp Martina , Schlettwein Derck
Published: February 2016

Thin films of the methylammonium lead halides CH3NH3Pb(I1−xBrx)3 are prepared on fluorine‐doped tin oxide substrates and exposed to humid air in the dark and under illumination. To characterize the stability of the materials, UV/Vis spectra are acquired at fixed intervals, accompanied by XRD, energy‐dispersive X‐ray spectroscopy, SEM, and confocal laser scanning microscopy. Different degradation mechanisms are observed depending on the environmental conditions. It is found that bromide can successfully suppress the transformation of the perovskite into the monohydrate, presumably owing to stronger hydrogen‐bonding interactions with the organic cation. However, under illumination in humid air, rather rapid decomposition of the perovskites was still observed, which is due to phase segregation. The use of increased bromide content in methylammonium lead halide absorbers is discussed in terms of their application in perovskite solar cells.
Synthesis and Cytotoxic Evaluation of Monocarbonyl Analogs of Curcumin as Potential Anti‐Tumor Agents
Authors: Pan Zheer , Chen Chengwei , Zhou Yeli , Xu Feng , Xu Yaozeng
Published: February 2016

Preclinical Research

A series of mono‐carbonyl curcumin analogs with different substituents at the 4/4’‐position of the phenyl group were synthesized and screened for in vitro cytotoxicity against a panel of human cancer cell lines using a methyl thiazolyl tetrazolium assay. Several of the curcumin analogs, especially B114, exhibited a wide‐spectrum of anti‐tumor properties in all tested cell lines, indicating their potential in as anti‐cancer lead compounds. Further toxicity testing in the NRK‐52E kidney cell line revealed that the analogs A111, A113, and B114 had comparable or higher safety than curcumin. These data suggested that the introduction of appropriate substituents in the 4/4’‐positions could be a promising approach for curcumin‐based drug design. Drug Dev Res 77 : 43–49, 2016. © 2016 Wiley Periodicals, Inc.
Metabolites from the Euryhaline Ciliate Pseudokeronopsis erythrina
Authors: Anesi Andrea , Buonanno Federico , di Giuseppe Graziano , Ortenzi Claudio , Guella Graziano
Published: February 2016

Three new secondary metabolites (named erythrolactones A2, B2 and C2), that are characterized by a central 4‐hydroxy‐unsaturated δ lactone ring bearing an alkyl saturated chain at C(2) and a butyl‐benzenoid group at C(5), together with their respective sulfate esters (erythrolactones A1, B1 and C1), have been isolated from cell cultures of Pseudokeronopsis erythrina, clone TL‐1. The structures are assigned on the basis of extensive spectroscopic measurements (1D and 2D NMR, UV, IR and HR‐MALDI‐TOF). A plausible biogenetic route for their formation is also suggested. Cold‐shock treatment was performed in order to induce the discharge of the metabolites contained in pigment granules lying on the ciliary organelles of this microorganism. HPLC‐ESI‐MS analysis of this granule discharge reveals that erythrolactones A2–C2 are actually therein contained, strongly suggesting a possible role for these metabolites in the chemical defence strategy of P. erythrina.
Generation, Reactivity and Uses of Sulfines in Organic Synthesis
Authors: McCaw Patrick G. , Buckley Naomi M. , Collins Stuart G. , Maguire Anita R.
Published: February 2016

This review focuses on the synthesis and reactivity of thioketone S‐oxides (sulfines). Sulfines have been long established as being reactive intermediates of high interest and with potential for wide application in organic synthesis. The review will cover many aspects of sulfines: the first section looks at the different routes to the synthesis of these compounds with a detailed look at more recently developed routes; the second section details the scope of reactivity of these types of compounds and how they are useful in synthetic organic chemistry with a particular look at cycloaddition and nucleophilic addition reactions.
2,2′‐Biindolyl Reactions with Aldehydes
Authors: Koch Daniel , Koch Eva , Desarbre Eric , Stensland Birgitta , Svensson Per H. , Bergman Jan
Published: February 2016

2,2′‐Biindolyl has been condensed with aromatic and aliphatic aldehydes and products featuring 10‐membered rings have been obtained. Thus, benzaldehyde gave compound 24a as the primary product, which readily underwent transannular oxidative coupling to 25a. The structures of both compounds were confirmed by X‐ray crystallography. The product from 2,2′‐biindolyl and formaldehyde under strongly acidic conditions was slightly different leading to compound 11, whose structure also was confirmed by X‐ray crystallography. In this case, two molecules of 2,2′‐biindolyl reacted with six molecules of formaldehyde.
Tyrosinase Biosensor for Antioxidants Based on Semiconducting Polymer Support
Authors: Cabaj Joanna , Jędrychowska Agnieszka , Świst Agnieszka , Sołoducho Jadwiga
Published: February 2016

This study reports sensitive phenolic compounds detection using biosensing electrode constructed by immobilization of tyrosinase in an electrochemically synthesized copolymer based on N‐nonylcarbazole derivatives on a platinum (Pt) electrode. Tyrosinase has been successfully immobilized (electrolytic deposition) on the surface of thin film built of poly[2,7‐bis(selenophene)‐N‐nonylcarbazole] and poly[3,6‐bis(selenophene)‐N‐nonylcarbazole]. A well‐defined reduction current according to the phenolic compounds was observed in cyclic voltammetry, which assigned to the reduction of biocatalytically produced o‐quinones on the electrode surface. The immersion of the tyrosinase‐equipped electrode in solution with substrate generated large catalytic currents easily recorded by cyclic voltammetry. The response of the biosensing arrangement was estimated in the presence of catechol and L‐3,4‐dihydroxyphenylalanine (L‐DOPA). The system exhibits an explicit catalytic activity and the substrates can be amperometrically determined at +0.07 V vs. Ag/AgCl. The activation energy (Ea) of immobilized tyrosinase catalytic reaction was estimated as 24.65 kJ/mol in PBS buffer. The analytical properties of the developed biosensor, such as linear concentration range, sensitivity, detection limit and reproducibility, repeatibility were also evaluated. Considering the fact, that the immobilization policy proved high efficiency, the results suggest that the method for phenoloxidase immobilization has a big capacity of providing high throughput engineering of bioelectronic devices.
The effect of utilizing homogeneous conversion to control the formation of chlorinated hydrocarbons during PVC pyrolysis
Authors: Yin Ren‐Hao , Zhang Rui‐Zhi , Luo Yong‐Hao
Published: February 2016

Dioxins emission is a serious problem during thermal utilization of municipal solid waste (MSW). The key structure in dioxins is CCl bond, so controlling the formation of chlorinated hydrocarbons, which contain CCl bond, is very important. PVC, a main source of chlorine in MSW, was used as fuel in this work. Chlorinated hydrocarbons were released from PVC pyrolysis process. A hot‐rod reactor combined with a homogeneous conversion stage was established in an attempt to realize the concept of utilizing the hydrogen, which was also released from PVC pyrolysis process, to control the formation of chlorinated hydrocarbons. In the experiments, the influences of temperature, concentration of hydrogen and residence time in the homogeneous conversion stage on the formation of chlorinated hydrocarbons were investigated. Some results were concluded as follows, first, during PVC pyrolysis progress, H2, Cl2, HCl, hydrocarbons and chlorinated hydrocarbons would be released so that the dechlorination reaction and the chlorination reaction occurred in the homogeneous conversion stage. Second, the concentration of hydrogen released during PVC pyrolysis process was enough as opposed to the release of chlorine. Third, elevating the temperature of homogeneous conversion could promote the dechlorination reaction. Increasing the concentration of hydrogen had the same effect. Fourth, enough residence time in the homogeneous conversion stage could ensure the dechlorination reaction completely to occur. In a word, the results suggested that utilizing hydrogen released from PVC pyrolysis could control the formation of chlorinated hydrocarbons effectively when the temperature of the homogeneous conversion stage was over 700°C with residence time more than 1.5 s. © 2016 American Institute of Chemical Engineers Environ Prog, 35: 1012–1019, 2016
Adsorption of phosphate from aqueous solution on to pyrolyzed drinking water treatment residuals: Statistical process optimization, equilibrium, and kinetic analysis
Authors: Jung Kyung‐Won , Hwang Min‐Jin , Kim Kipal , Ahn Kyu‐Hong
Published: February 2016

While the unique properties of drinking water treatment residuals (DWTRs) make it possible to reuse them as a beneficial adsorbent for phosphate removal, the dispersed impurities on the surface or in the pores of raw DWTRs can hinder phosphate adsorption capabilities. Hence, in this study, a pyrolysis process (200–800°C for 2–8 h) was employed to remove such impurities. Testing confirmed that the pyrolyzed drinking water treatment residuals (PDRs) proved to be powerful adsorbent for the removal of phosphate from aqueous solutions. When pyrolysis temperature was increased up to 300°C, the phosphate adsorption capacity was enhanced due to the removal of impurities on the DWTRs surface, and the maximum phosphate adsorption capacity increased from 14.67 to 31.74 mg g−1, as indicated by the Freundlich model. However, a significant decrease of phosphate adsorption capacity was observed with further increase in temperature. Although structural and chemical properties of PDRs were found to be similar to raw DWTRs, the surface area and pore diameter became worse for adsorption due to the melting behavior of aluminum particles during pyrolysis. Subsequently, a statistical optimization was carried out using response surface methodology to optimize the pyrolysis conditions. As results, a phosphate adsorption capacity of 35.60 mg g−1 was recorded using the statistically optimized‐PDRs (SO‐PDRs). The results of phosphate adsorption equilibrium, isosteric heat of adsorption, and kinetic analysis at different temperatures tend to suggest that the main mechanisms of phosphate adsorption on to SO‐PDRs are endothermic and chemisorption reactions; the surfaces are energetically heterogeneous for adsorbing phosphate. © 2016 American Institute of Chemical Engineers Environ Prog, 35: 1035–1046, 2016