bluuebunny/crossref_metadata_2025 huggingface dataset:
Cladistic analysis and description of a new species of the Brazilian genus Atlantodesmus Hoffman, 2000 (Diplopoda: Polydesmida: Chelodesmidae)
Authors: Bouzan Rodrigo Salvador , Iniesta Luiz Felipe Moretti , Brescovit Antonio Domingos
Published: July 2019

A cladistic analysis of the genus Atlantodesmus Hoffman, 2000 is presented. With a total of 11 taxa and 30 morphological characters, and under implied weighting (k = 3), two equally most parsimonious trees (length = 58 steps; total fit = 23.150; CI = 0.64; RI = 0.64) recovered the monophyly of the genus. The resulting synapomorphies are: absence of a ventral projection on the post-gonopodal sternites; presence of folds on the dorsal edge of the prefemoral region of the gonopod; and one homoplastic transformation: presence of a cingulum. In addition, Atlantodesmus sierwaldae sp. nov. is described from the state of Minas Gerais, in the Brazilian Cerrado, and a key to the males of the genus is provided.
Proximal ligation after the side-to-end anastomosis recovery technique for lymphaticovenous anastomosis
Authors: Suzuki Yushi , Sakuma Hisashi , Ihara Jun , Shimizu Yusuke
Published: July 2019

Background Lymphaticovenous anastomosis is an important surgical treatment for lymphedema, with lymphaticovenous side-to-end anastomosis (LVSEA) and lymphaticovenous end-to-end anastomosis being the most frequently performed procedures. However, LVSEA can cause lymphatic flow obstruction because of regurgitation and tension in the anastomosis. In this study, we introduce a novel and simple procedure to overcome this problem.

Methods Thirty-five female patients with lower extremity lymphedema who underwent lymphaticovenous anastomosis at our hospital were included in this study. Eighty-five LVSEA procedures were performed, of which 12 resulted in insufficient venous blood flow. For these 12 anastomoses, the proximal lymphatic vessel underwent clipping after the anastomotic procedure and the venous inflow was monitored. Subsequently, the proximal ligation after side-to-end anastomosis recovery (PLASTER) technique, which involves ligating the proximal side of the lymphatic vessel, was applied. A postoperative evaluation was performed using indocyanine green 6 months after surgery.

Results Despite the clipping procedure, three of the 12 anastomoses still showed poor venous inflow. Therefore, it was not possible to apply the PLASTER technique in those cases. Among the nine remaining anastomoses in which the PLASTER technique was applied, three (33%) were patent.

Conclusions Our findings show that achieving patent anastomosis is challenging when postoperative venous inflow is poor. We achieved good results by performing proximal ligation after LVSEA. Thus, the PLASTER technique is a particularly useful recovery technique when LVSEA does not result in good run-off.
Finite element analysis of long-term changes of the breast after augmentation mammoplasty: Implications for implant design
Authors: Myung Yujin , Lee Jong-Gu , Cho Maenghyo , Heo Chan Yeong
Published: July 2019

The development of breast implant technology continues to evolve over time, but changes in breast shape after implantation have not been fully elucidated. Thus, we performed computerized finite element analysis in order to better understand the trajectory of changes and stress variation after breast implantation. The finite element analysis of changes in breast shape involved two components: a static analysis of the position where the implant is inserted, and a dynamic analysis of the downward pressure applied in the direction of gravity during physical activity. Through this finite element analysis, in terms of extrinsic changes, it was found that the dimensions of the breast implant and the position of the top-point did not directly correspond to the trajectory of changes in the breast after implantation. In addition, in terms of internal changes, static and dynamic analysis showed that implants with a lower top-point led to an increased amount of stress applied to the lower thorax. The maximum stress values were 1.6 to 2 times larger in the dynamic analysis than in the static analysis. This finding has important implications for plastic surgeons who are concerned with long-term changes or side effects, such as bottoming-out, after anatomic implant placement.
COOMA: A Components Overlaid Mining Algorithm for Enumerating Connected Subgraphs with Common Itemsets
Authors: Haraguchi Kazuya , Momoi Yusuke , Shurbevski Aleksandar , Nagamochi Hiroshi
Published: July 2019

In the present paper, we consider
the graph mining problem
of enumerating what we call connectors.
Suppose that we are given a data set $(G,I,\sigma)$ that consists
of a graph $G=(V,E)$, an item set $I$,
and a function $\sigma:V\rightarrow 2^{I}$.
For $X\subseteq V$,
we define $A_\sigma(X)\triangleq\bigcap_{v\in X}\sigma(v)$.
Note that, for $X,Y\subseteq V$, $X\subseteq Y$ implies that $A_\sigma(X)\supseteq A_\sigma(Y)$.
A vertex subset $X$ is called a connector
if (i) the subgraph $G[X]$ induced from $G$ by $X$ is connected; and
(ii) for any $v\in V\setminus X$, $G[X\cup\{v\}]$ is disconnected or
$ A_\sigma(X\cup\{v\})\subsetneq A_\sigma(X)$.
To enumerate all connectors,
we propose a novel algorithm named COOMA
(components overlaid mining algorithm).
The algorithm mines connectors by "overlaying" an already discovered connector on a certain subgraph of $G$ iteratively.
By overlaying, we mean taking an intersection between the connector and connected components of a certain induced subgraph.
Interestingly,
COOMA is a total-polynomial time algorithm,
i.e., the running time is polynomially bounded
with respect to the input and output size.
We show the efficiency of COOMA
in comparison with COPINE [Sese et al., 2010],
a depth-first-search based algorithm.
Variables associated with successful performance on the National Board of Chiropractic Examiners Part IV examination
Authors: Himelfarb Igor , Shotts Bruce L. , Hyland John K. , Gow Andrew R.
Published: July 2019

Objective:

The objectives of this study were to (1) identify factors predictive of performance on the National Board of Chiropractic Examiners Part IV exam and (2) investigate correlations between the scores obtained in the Part I, Part II, Physiotherapy, and Part III exams and the Part IV examination.

Methods:

A random sample of 1341 records was drawn from National Board of Chiropractic Examiners data to investigate the relationships between the scores obtained on the National Board of Chiropractic Examiners exams. A hierarchical multiple regression analysis related the performance on Part IV to examinee's gender, Part IV repeater status, and scores obtained on the Part I, Part II, Physiotherapy, and Part III exams.

Results:

The analyses revealed statistical relations among all National Board of Chiropractic Examiners exams. The correlations between Part IV and Part I ranged from r = .31 to r = .4; between Part IV and Part II from r = .34 to r = .45. The correlation between Part IV and Physiotherapy was r = .44; between Part IV and Part III was r = .46. The strongest predictors of the Part IV score were found to be examinees' scores in Diagnostic Imaging, β̂ = .19, p < .001; Chiropractic Practice, β̂ = .17, p < .001; Physiotherapy, β̂ = .15, p < .001; and the Part III exam β̂ = .19, p < .001.

Conclusions:

Performance on the National Board of Chiropractic Examiners Part IV examination is related to the performance in all other National Board of Chiropractic Examiners exams.
Modeling Nonlinear Partial Differential Equations and Construction of Solitary Wave Solutions in an Inductive Electrical Line
Authors: Guy Tiague Takongmo , Bogning Jean Roger
Published: July 2019

A soliton is considered nowadays as a future wave reason being the fact that it is a stable, robust and non-dissipative solitary wave. If one uses a soliton as a transmission signal in electrical lines, this will have a great impacts in the domain of economic, technology and education. Given the fact that the propagation of the soliton is due to the interaction between dispersion and nonlinearity, it necessitates that the transmission medium should be dispersive and nonlinear. The physical system we have chosen for our survey is an inductive electrical line reason being the fact that it is the cheapest and very easy to manufacture than any other transmission lines; furthermore we find out the analytical variation that the magnetic flux linkage of inductors in the electrical line must undergo so that its transmission medium admits the propagation of solitary waves of required type. The aim of this work is to model nonlinear partial differential equations which govern the dynamics of those solitary waves in the line, to define the analytical expression of the magnetic flux linkage of inductors in the line and to find out some exact solutions of solitary waves types of those equations. To meet our objectives, we apply Kirchhoff laws to the circuit of a nonlinear inductive electrical line to model the nonlinear partial differential equation which describe the dynamics of those solitons. Further we apply the effective and direct Bogning-Djeumen Tchaho-Kofane method based on the identification of basic hyperbolic function coefficients to construct some exact soliton solutions of modeled equations. Numerical simulations have enabled to draw and observe the real profile of those solitary waves which are Kink soliton and Pulse soliton. The obtained results are supposed to permits: The facilitation of the choice of the type of line relative to the type of signal one wishes to send across, to increase the mathematical field knowledge, the reduction of amplification stations of those lines, The manufacturing of new inductors and new electrical lines susceptible of propagating those solitary waves.
Impact of circulating tumor DNA mutant allele fraction on prognosis in RAS‐mutant metastatic colorectal cancer
Authors: Elez Elena , Chianese Chiara , Sanz‐García Enrique , Martinelli Erica , Noguerido Alba , Mancuso Francesco Mattia , Caratù Ginevra , Matito Judit , Grasselli Julieta , Cardone Claudia , Esposito Abate Riziero , Martini Giulia , Santos Cristina , Macarulla Teresa , Argilés Guillem , Capdevila Jaume , Garcia Ariadna , Mulet Nuria , Maiello Evaristo , Normanno Nicola , Jones Frederick , Tabernero Josep , Ciardello Fortunato , Salazar Ramon , Vivancos Ana
Published: July 2019

Despite major advances in the treatment of metastatic colorectal cancer (mCRC), the survival rate remains very poor. This study aims at exploring the prognostic value of RAS‐mutant allele fraction (MAF) in plasma in mCRC. Forty‐seven plasma samples from 37 RAS‐mutated patients with nonresectable metastases were tested for RAS in circulating tumor DNA using BEAMing before first‐ and/or second‐line treatment. RAS MAF was correlated with several clinical parameters (number of metastatic sites, hepatic volume, carcinoembryonic antigen, CA19‐9 levels, primary site location, and treatment line) and clinical outcome [progression‐free survival (PFS) and overall survival (OS)]. An independent cohort of 32 patients from the CAPRI‐GOIM trial was assessed for clinical outcome based on plasma baseline MAF. RAS MAF analysis at baseline revealed a significant correlation with longer OS [Hazard ratios (HR) = 3.514; P = 0.00066]. Patients with lower MAF also showed a tendency to longer PFS, although not statistically significant. Multivariate analysis showed RAS MAFs as an independent prognostic factor in both OS (HR = 2.73; P = 0.006) and first‐line PFS (HR = 3.74; P = 0.049). Tumor response to treatment in patients with higher MAF was progression disease (P = 0.007). Patients with low MAFs at baseline in the CAPRI‐GOIM group also showed better OS [HR = 3.84; 95% confidence intervals (CI) 1.5–9.6; P = 0.004] and better PFS (HR = 2.5; 95% CI: 1.07–5.62; P = 0.033). This minimally invasive test may help in adding an independent factor to better estimate outcomes before initiating treatment. Further prospective studies using MAF as a stratification factor could further validate its utility in clinical practice.
Free‐Standing 2D Nanoassemblies
Authors: Shi Qianqian , Cheng Wenlong
Published: July 2019

Free‐standing 2D nanoassemblies are ultrathin nanomembranes or nanosheets constructed from constituent nanoscale building blocks including metal nanoparticles, quantum dots, and magnetic nanoparticles, typically by a bottom‐up self‐assembly approach. Such free‐standing nanoassemblies are a new class of advanced functional materials that can integrate the unique optoelectronic properties of nanomaterials with thin film mechanics into confined 2D space. This offers attributes such as minimizing substrate effects, facile transfer, and soft devices in comparison to the corresponding substrate‐supported system. This review covers the recent progress in fabrication, characterization, and application of the free‐standing 2D nanoassemblies. To begin with, the attributes of free‐standing 2D nanoassemblies are discussed, followed by the description of fabrication methodologies. Then their novel optical, electronic, mechanical, magnetic, and stimuli responsible properties are covered, and their potential applications in filtration membrane, nanomechanical devices, and chemical sensing are further discussed. Finally, perspectives on the challenges and future opportunities of the free‐standing 2D nanoassemblies are shared.
Heterogeneous, Porous 2D Oxide Sheets via Rapid Galvanic Replacement: Toward Superior HCHO Sensing Application
Authors: Jang Ji‐Soo , Lee Sang‐Eun , Choi Seon‐Jin , Koo Won‐Tae , Kim Dong‐Ha , Shin Hamin , Park Hee Jung , Kim Il‐Doo
Published: July 2019

2D heterogeneous oxide nanosheets (NSs) have attracted much attention in various scientific fields owing to their exceptional physicochemical properties. However, the fabrication of 2D oxide NSs with abundant p–n interfaces and large amounts of mesopores is extremely challenging. Here, a facile synthesis of highly porous 2D heterogeneous oxide NSs (e.g., SnO2/CoOx) is suggested through a 2D oxide exfoliation approach combined with a fast galvanic replacement reaction (GRR). The ultrathin (<5 nm) layered CoOx NSs are simply prepared by ion‐exchange exfoliation and a subsequent GRR process that induces a rapid phase transition from p‐type CoOx to n‐type SnO2 metal oxides (<10 min). The controlled GRR process enables the creation of heterogeneous SnO2/CoOx NSs consisting of small SnO2 grain sizes (<10 nm), high porosity, numerous heterojunctions, and sub‐10 nm thickness, which are highly advantageous characteristics for chemiresistive sensors. Due to the advantage of these features, the porous SnO2/CoOx NSs exhibit an unparalleled HCHO‐sensing performance (Rair/Rgas > 35 @ 5 ppm with a response speed of 9.34 s) with exceptional selectivity compared to that of the state‐of‐the‐art metal oxide‐based HCHO gas sensors.
Cocrystal Engineering: A Collaborative Strategy toward Functional Materials
Authors: Sun Lingjie , Wang Yu , Yang Fangxu , Zhang Xiaotao , Hu Wenping
Published: July 2019

Cocrystal engineering with a noncovalent assembly feature by simple constituent units has inspired great interest and has emerged as an efficient and versatile route to construct functional materials, especially for the fabrication of novel and multifunctional materials, due to the collaborative strategy in the distinct constituent units. Meanwhile, the precise crystal architectures of organic cocrystals, with long‐range order as well as free defects, offer the opportunity to unveil the structure–property and charge‐transfer–property relationships, which are beneficial to provide some general rules in rational design and choice of functional materials. In this regard, an overview of organic cocrystals in terms of assembly, containing the intermolecular interactions and growth methods, two functionality‐related factors including packing structure and charge‐transfer nature, and those advanced and novel functionalities, is presented. An outlook of future research directions and challenges for organic cocrystal is also provided.
Spatially Confining Surface Roughness on Exponentially Growing Polyelectrolyte Multilayer Films
Authors: Chen Xia‐Chao , Huang Wei‐Pin , Ferreira Lino , Ren Ke‐Feng , Ji Jian
Published: July 2019

Introducing roughness features onto materials' surface can serve as an efficient strategy for novel or enhanced surface functionality. Surface roughness can be developed spontaneously on exponentially growing polyelectrolyte multilayer films without any postassembly treatment. This is essentially a pressure‐induced wrinkling behavior, which is associated with the diffusion of polyelectrolyte chains into the films during the assembling process. Here, this wrinkling behavior is suppressed by applying a pre‐cross‐linking process, which can produce steric hindrance within the films against the diffusion of oncoming polyelectrolytes. With the aid of photolithography, the wrinkling behavior can be “turned off” regioselectively and confined on the areas unexposed to UV irradiation, thus leading to a film with patterned surface wrinkles and paving the way for novel applications.
Enantioselective Addition of Enamides to Cyclic Ketimines: Access to Chiral 3,3‐Disubstituted Isoindolin‐1‐Ones
Authors: Feng Fang‐Fang , Li Jin‐Shan , Li Shen , Ma Jun‐An
Published: July 2019

An enantioselective addition of enamides to cyclic ketimines generated in situ from 3‐hydroxyisoindolin‐1‐ones was developed. This reaction takes advantage of readily available substrates, mild reaction conditions, as well as enlarged reaction generality, affording chiral 3,3‐disubstituted isoindolin‐1‐ones with a quaternary stereogenic center in high yields (up to 98%) and enantioselectivities (up to 99% ee).

magnified image
PIDA‐Promoted Selective C5 C−H Selenylations of Indolines via Weak Interactions
Authors: Gu Linghui , Fang Xinyue , Weng Zhengyun , Lin Jiafu , He Meicui , Ma Wenbo
Published: July 2019

An efficient PIDA (phenyliodine(III) diacetate)‐promoted positional selective C−H selenylations of indolines with diaryl diselenides has been developed. This transformation conducted under mild reaction conditions with a broad functional group tolerance, thus providing an efficient protocol to selenylated indolines. Preliminary mechanistic studies indicated a SET pathway was likely involved in this selenylation reaction.

magnified image
Regiodivergent Aromatic Electrophilic Substitution Using Nitrosoarenes in Hexafluoroisopropanol: A Gateway for Diarylamines andp‐Iminoquinones Synthesis
Authors: Pradhan Suman , Roy Sourav , Ghosh Soumen , Chatterjee Indranil
Published: July 2019

A metal‐free aromatic electrophilic substitution reaction using nitrosoarenes as the electrophile in 1,1,1,3,3,3‐hexafluoroisopropanol (HFIP) is reported. HFIP activates nitrosoarene towards the electrophilic C−H amination followed by a concomitant N−O bond cleavage to deliver diarylamines without requiring any extra reagent or further treatment. The dual electrophilic nature of nitrosoarene permits a switchover of selectivity to C−H oxygenation furnishing dearomatizedp‐iminoquinones following a unique mechanistic rationale of two consecutive [2,3] sigmatropic rearrangement in nitroso‐chemistry.

magnified image
Carbon Nano‐Onions Made Directly from CO2 by Molten Electrolysis for Greenhouse Gas Mitigation
Authors: Liu Xinye , Ren Jiawen , Licht Gad , Wang Xirui , Licht Stuart
Published: July 2019

A high yield, low energy synthesis of carbon nano‐onions (CNOs) by electrolysis of CO2 in molten carbonate is presented. Carbon nano‐onions are a recently recognized, less studied morphology of carbon nanomaterials consisting of nested concentric carbon spheroids. Previously, a high yield growth of carbon nanotubes by CO2 electrolysis in molten carbonate was achieved through transition metal nucleation points on the electrolysis cathode. Here, effective low energy CNO synthesis from CO2 is achieved instead by excluding those nucleating agents from the molten carbonate growth medium resulting in a profusion of uniform CNOs, with an increasing diameter correlated to increasing growth time. CO2 transformation to valuable materials, such as CNOs, adds value to CO2 to incentivize consumption of this greenhouse pollutant. For example, CNOs are currently valued 20 000 times higher than coal.
Numerical Study on the Thermal and Optical Performances of an Aerogel Glazing System with the Multivariable Optimization Using an Advanced Machine Learning Algorithm
Authors: Zheng Siqian , Zhou Yuekuan
Published: July 2019

The implementation of advanced materials in high‐efficient glazing system is important for green buildings. In this study, aerogel granules are implemented in the glazing system to form a translucent window with super‐insulating performance. An experimentally validated numerical modeling integrating both heat transfer model and optical model is developed to characterize the sophisticated heat transfer and solar radiation transmission mechanisms. Sensitivity analysis is presented with quantifiable contribution ratio of each parameter to the total heat gain. Instead of returning back to numerical modeling repeatedly, an advanced optimization engine implemented with a generic optimization methodology with competitive computational efficiency and accuracy is proposed by implementing the supervised machine learning and advanced optimization algorithms. The research results show that the developed artificial neural network modeling is more accurate and computational‐efficient than the traditional lsqcurvefit fitting methodology. In addition, the optimal case through the teaching‐learning‐based optimization is more robust and competitive than the optimal case through the particle swarm optimization in terms of the total heat gain. This study presents an in‐depth understanding of heat transfer and solar radiation transmission of nanoporous aerogel granules together with a robust optimal design, which is important for the promotion of green buildings with high‐energy performance.
Bottom‐up control of geographic variation in insect herbivory on wild cotton (Gossypium hirsutum) by plant defenses and climate
Authors: Abdala‐Roberts Luis , Quijano‐Medina Teresa , Moreira Xoaquín , Vázquez‐González Carla , Parra‐Tabla Víctor , Berny Mier Y Terán Jorge C. , Grandi Luca , Glauser Gaétan , Turlings Ted C. J. , Benrey Betty
Published: July 2019

Premise

The occurrence and amount of herbivory are shaped by bottom‐up forces, primarily plant traits (e.g., defenses), and by abiotic factors. Addressing these concurrent effects in a spatial context has been useful in efforts to understand the mechanisms governing variation in plant–herbivore interactions. Still, few studies have evaluated the simultaneous influence of multiple sources of bottom‐up variation on spatial variation in herbivory.

Methods

We tested to what extent chemical (phenolics, production of terpenoid glands) and physical (pubescence) defensive plant traits and climatic factors are associated with variation in herbivory by leaf‐chewing insects across populations of wild cotton (Gossypium hirsutum).

Results

We found substantial population variation in cotton leaf defenses and insect leaf herbivory. Leaf pubescence, but not gossypol gland density or phenolic content, was significantly negatively associated with herbivory by leaf‐chewing insects. In addition, there were direct effects of climate on defenses and herbivory, with leaf pubescence increasing toward drier conditions and leaf damage increasing toward wetter and cooler conditions. There was no evidence, however, of indirect effects (via plant defenses) of climate on herbivory.

Conclusions

These results suggest that spatial variation in insect herbivory on wild G. hirsutum is predominantly driven by concurrent and independent influences of population variation in leaf pubescence and climatic factors.
Mediating effects of exercise capacity on the association between physical activity and health‐related quality of life among adolescents with complex congenital heart disease
Authors: Kim Hyun Jeong , Jae Sae Young , Choo Jina , Yoon Ja Kyoung , Kim Seong‐Ho , Königstein Karsten , Schmidt‐Trucksäss Arno , Franklin Barry A.
Published: July 2019

Objectives

There is little evidence on interrelationships between physical activity, sedentary behaviors, and health‐related quality of life (HRQOL) among adolescents with congenital heart disease (CHD). We hypothesized that exercise capacity would have a mediating effect on the associations of either physical activity or sedentary behavior with HRQOL.

Methods

Adolescents with complex CHD (n = 111) were consecutively recruited from an outpatient clinic in a general hospital in South Korea. Physical activity and sedentary behavior were assessed using the global physical activity questionnaire. Exercise capacity was directly measured by peak oxygen uptake using a symptom‐limited maximal treadmill exercise test. HRQOL was evaluated by both adolescents and their parents using the Pediatric Quality of Life Inventory questionnaire.

Results

The self‐reported and parent proxy‐reported HRQOL were positively associated with physical activity (ß = 0.16, P = .003; ß = 0.12, P = .049) and exercise capacity (ß = 0.63, P < .001; ß = 0.66, P < .001), but not with sedentary behavior in adjusted regression models. When both variables were entered in the same regression models, only exercise capacity remained significantly associated with the self‐reported (ß = 0.50, P = .008) and parent proxy‐reported HRQOL (ß = 0.62, P = .003). Exercise capacity acted as a full mediator variable on the relationship between physical activity and HRQOL (P < .05 for both).

Conclusions

The present findings suggest that exercise capacity mediates the association between physical activity and HRQOL, highlighting the importance of improving exercise capacity to potentially enhance HRQOL in adolescents with complex CHD.
Catalytic Desymmetric Cycloaddition of Diaziridines with Metalloenolcarbenes: The Role of Donor–Acceptor Cyclopropenes
Authors: Zheng Haifeng , Doyle Michael P.
Published: July 2019

A chiral copper(I) complex catalyzes reactions of symmetric diaziridines with enol diazo compounds, which react through N−N bond ring opening in a formal [3+3] cycloaddition to form four chiral centers with high stereocontrol. A broad spectrum of bridged dinitrogen heterocycles were obtained in high yields and excellent diastereo‐ and enantioselectivities from γ‐substituted enol diazoacetates, while their geometrical isomers gave different enantioselectivities. Donor–acceptor cyclopropenes formed from the geometrical isomers of the γ‐substituted enol diazoacetates underwent catalytic ring opening to give only the Z isomer of the metalloenolcarbene intermediate, provided excellent yields and selectivities for the 1,5‐diazabicyclo[n.3.1]non‐2‐ene derivatives.
Chromium‐metformin ternary complexes: Thermal, DNA interaction and Docking studies
Authors: Shekhar B. , Vasantha P. , Sathish Kumar B. , Anantha Lakshmi P.V. , Ravi Kumar V. , Satyanarayana S.
Published: July 2019

Three chromium ternary complexes with metformin (met) as a primary ligand and bipyridine (bipy) or ortho‐phenylenediamine (opda) or ortho‐phenanthroline (phen) as secondary ligand were synthesized. These complexes [Cr (Cl)2(Hmet)(bipy)]‐(1), [Cr (Cl)2(Hmet)(opda)]‐(2) and [Cr (Cl)2(Hmet)(phen)]‐(3) were characterized by LC–MS, elemental analysis, molar conductance, thermal analysis, infrared spectroscopy, electronic spectroscopy. The geometrical structures have been found to be octahedral. Degradation pattern of the compounds is shown by thermal studies. The Kinetic parameters‐ energy of activation (Ea), enthalpy (ΔH), entropy (ΔS) and free energy changes (ΔG) have been determined by thermogravimetric data. Coats‐Redfern integration method with thirteen kinetic models was used to calculate the kinetic and thermodynamic parameters for the degradation of all the complexes. The stabilities of the complexes were obtained from their molecular orbital structures from which the quantum chemical parameters were calculated using the HOMO‐LUMO energies. UV–Visible absorption, fluorescence, and viscosity measurements have been conducted to assess the interaction of the complexes with CT DNA. The complexes showed absorption hyperchromism in its UV–Vis spectrum with DNA. The binding constants Kb from UV–Vis absorption studies were 3.1x104, 4.4x104, 5x104 M−1 for 1, 2, 3 respectively and Stern–Volmer quenching constants (Ksq) from fluorescence studies were 0.137, 0.532, 0.631 for 1, 2, 3 respectively. Finally, viscosity measurements revealed that the binding of the complexes with CT‐DNA could be surface binding, mainly due to groove binding. The activity of complexes towards DNA cleavage decrease in the order of 3 > 2 > 1.The light switching properties of the complexes were also evaluated. The complexes were docked in to B‐DNA sequence, 5′(D*AP*CP*CP*GP*AP*CP*GP*TP*CP*GP*GP*T)‐3′ retrieved from protein data bank (PDB ID: 423D), using Discovery Studio 2.1 software.
Synthesis of novel VO (II)‐thaizole complexes; spectral, conformational characterization, MOE‐docking and genotoxicity
Authors: El‐Metwaly Nashwa , Althagafi Ismail , Katouah Hanadi A. , Al‐Fahemi Jabir H. , Bawazeer Tahani M. , Khedr Abdalla M.
Published: July 2019

New VO (II)‐thaizolyl hydrazine complexes were synthesized and characterized by analytical, spectral and theoretical techniques. Bi‐nuclear complexes were suggested for all synthesizes upon neutral poly‐dentate mode of bonding. UV–Vis and EPR spectra, proposed two structural geometries as, square‐planer and octahedral. TGA confirmed the contribution of solvent molecules through physical and/or coordinate‐bonding. XRD parameters calculated, displayed outstanding nanometer‐sizes for all nano‐crystalline compounds, which suffering slight imperfections. Also, SEM images showed, spherical‐shape that observed for most topographic particulates. Conformational study executed for all new synthesizes, demonstrated their optimized structural‐forms. Furthermore, important physical parameters were computed that predict essential characteristics as, biological efficiency. Predictable parameters as softness and electrophilicity, point to priority of VO (II)‐4d complex. Genotoxic study, was already examined, for all new synthesizes, against CT‐DNA and displayed complete deterioration for DNA, by influence of most tested compounds. Moreover, MOE‐docking technique, was executed against receptors of Y‐family DNA‐polymerase (4irk) and Key‐Enzyme Linking‐Metabolic Inflammation (4cyf). This docking study displayed the following ascending order; VO (II)‐4c,4irk ˃ VO (II)‐4d,4cyf ˃ VO (II)‐4c, 4cyf ˃ VO (II)‐4b, 4cyf, based on scoring‐energy values. This study concluded with promising prediction of these complexes in relation to DNA‐polymerase as well as inflammation enzyme that compared with known anti‐inflammatory drug (meloxicam).
Synthesis and Anti‐Listeria Properties of Odorless Hybrid Bio‐Based n‐Phenolic Vegetable Branched‐Chain Fatty Acids
Authors: Ngo Helen , Wagner Karen , Yan Zongcheng , Moreau Robert A. , Fan Xuetong
Published: July 2019

Consumers are becoming concerned about the impact of synthetic chemicals on human health and environments, and demanding natural compounds to reduce risk of antibiotic resistance of microorganisms. However, natural compounds are often less effective than synthetic antimicrobials. This challenge may be addressed with the development of bio‐based antimicrobial agents. In this study, bio‐based n‐phenolic branched‐chain fatty acids (n‐phenolic‐branched chain fatty acid [BCFA]) were synthesized from vegetable oil (soybean and safflower) fatty acids and four natural phenolics (phenol, thymol, carvacrol, and creosote), and tested against Listeria innocua. Results revealed that the newly synthesized products in crude form had minimum inhibitory concentrations (MIC) against L. innocua ranging from 3.6 to 116.4 μg mL−1, with phenol‐BCFA products having the lowest MIC (3.6 μg mL−1) and minimum bactericidal concentration (MBC) (7.3 μg mL−1). The precursors (unsaturated free fatty acids and phenolics) and noncovalently bound mixture of free fatty acids and phenolics had MIC above 232.7 μg mL−1. After purification by molecular fractionation, n‐phenolic‐BCFA in the free fatty acid/monomer form were shown to be responsible for the anti‐Listeria activity with MIC of 3.6–7.3 μg mL−1 and MBC of 7.3–29.1 μg mL−1. These promising results pave the road for further study of this new class of bio‐based compounds, which may lead to their widespread use.
Stabilization of uncertain fractional order system with time‐varying delay using BMI approach
Authors: He Bin‐Bin , Zhou Hua‐Cheng , Kou Chun‐Hai , Chen YangQuan
Published: July 2019

This paper considers the systematic design of robust stabilizing state feedback controllers for fractional order nonlinear systems with time‐varying delay being possibly unbounded. By using the fractional Halanay inequality and the Caputo fractional derivative of a quadratic function, stabilizability conditions expressed in terms of bilinear matrix inequalities are derived. The controllers can then be obtained by computing the gain matrices. In order to derive the gain matrices, two algorithms are proposed by using the existing computationally linear matrix inequality techniques. Two numerical examples with simulation results are provided to demonstrate the effectiveness of the obtained results.
Down syndrome among primiparae at older maternal age: A test of the relaxed filter hypothesis
Authors: Bruckner Tim A. , Singh Parvati , Lelong Nathalie , Khoshnood Babak
Published: July 2019

Background

Down syndrome (DS) ranks as one of the most common birth defects in the United States. The relaxed filter hypothesis (RFH) asserts that mothers with no previous children but nearing reproductive senescence reduce fetal selectivity against DS pregnancies in the first trimester given the high probability of having no offspring at all if the DS pregnancy is not carried to term. We test the parity prediction of RFH—specifically, that pregnancies to older mothers with no previous live births show an elevated prevalence of DS above values expected from the separate contributions of older maternal age and primiparity.

Methods

We retrieved maternal age and parity information on 2,748 DS cases (live, stillborn, or terminated due to anomaly) from the Paris Birth Defects Registry, 1983–2015. We used two waves of the Enquête Fertility Survey (n = 5,460) and counts of stillbirths to calculate total prevalence of DS by maternal age and parity.

Results

Primiparous mothers 35+ years show the greatest prevalence of any parity group (9.78 cases per 1,000 deliveries). Tests for additive interaction of primiparity and older maternal age reject the null (relative excess risk due to interaction = 1.01; 95% confidence interval: 0.33, 1.69; null value on additive scale is 0).

Conclusions

Relaxed selection may account for 10% of the increase in the prevalence, among older primiparous mothers, of DS detected during or after the 11th week. Future work may hold implications for understanding, among older mothers, the strength of this maternal screen against other defects.
Teachers’ understandings of shyness: Psychosocial differentiation for student inclusion
Authors: Mjelve Liv H. , Nyborg Geir , Edwards Anne , Crozier W. Ray
Published: July 2019

Shyness is not a recognised special educational need, yet studies reveal that shy children underperform academically and present psychosocial vulnerabilities. We present a Norwegian study of elementary school teachers who have experience in working with shy children. Framed by a cultural–historical understanding that concepts are tools employed by teachers as they work on problems of practice, the study examined (i) how shyness is a concept allowing teachers to interpret behaviours of children and (ii) why they employ the concept and what demands were being addressed. Data were gathered through post‐observation stimulated recall interviews with 8 teachers and three focus group sessions with 11 teachers. Seeing shyness as a tool for identifying the demands made by children regarded as shy, revealed sets of child behaviours which required two distinct forms of differentiation: (i) augmenting cognitive support with psychosocial feedback to help the child overcome the behaviours impeding their engagement as active learners and (ii) making extra efforts when eliciting children's understandings in order to give formative feedback and support progress through pedagogic sequences. By identifying the behaviours underpinning broad descriptions of shyness, such as anxiety, the analyses show that teachers employ shyness as an overarching concept which reveals psychosocial demands that may not be entirely addressed by the repertoires of responses available to them.
Effects of a handwashing intervention package on handwashing in preschool children
Authors: Jess Rachel L. , Dozier Claudia L. , Foley Elizabeth A.
Published: July 2019

Young children who attend out‐of‐home care (e.g., preschool) are more susceptible to infections than children who do not attend out‐of‐home care. Previous research suggests handwashing is effective in reducing risk of infection and illness. However, research suggests that individuals do not routinely wash their hands using methods that healthcare agencies, such as the Centers for Disease Control and Prevention, have determined best practice. We evaluated the effects of a multicomponent handwashing intervention package on correct handwashing across groups of preschool children. Furthermore, we measured the degree to which their hands were clean using premeasures and postmeasures. Results suggest the intervention package was effective at increasing both correct handwashing and cleanliness of participants' hands.
Pharmacokinetic analysis of plasma bicyclol by liquid chromatography–tandem mass spectrometry
Authors: Liu Mingyi , Huang Shibo , Wen Jinhua , Xia Chunhua , Zhang Hong , Xiong Yuqing
Published: July 2019

Bicyclol is a synthetic drug widely used to treat chronic hepatitis B. This study aimed to develop a selective, sensitive and high‐throughput liquid chromatography–tandem mass spectrometric method for the detection of bicyclol in human plasma. Bicyclol was detected using a multiple reaction monitoring mode, with ammonium adduct ions (m/z 408.2) as the precursor ion and the [M‐CH3]+ ion (m/z 373.1) subjected to demethylation as the product ion. Chromatographic separation was achieved using a Zobax Eclipse XDB‐C18 column with a gradient elution and a mobile phase of 2 mm ammonium formate and acetonitrile. Bicyclol was extracted from plasma matrix by precipitation. A linear detection response was obtained for bicyclol ranging from 0.500 to 240 ng/mL, and the lower limit of quantification was 0.500 ng/mL. The intra‐ and inter‐day precisions were all ≤7.4%, and the accuracies were within ±6.0%. The extraction recovery was >95.9%, and the matrix effects were between 96.0% and 108%. Bicyclol was found to be unstable in human plasma at room temperature, but the degradation was minimized by conducting sample collection and preparation in an ice bath. The validated method was successfully applied to investigate the pharmacokinetics of bicyclol tablets in six healthy Chinese volunteers.
Stability‐indicating analytical method of quantifying spironolactone and canrenone in dermatological formulations and iontophoretic skin permeation experiments
Authors: Ferreira‐Nunes Ricardo , Ferreira Larissa A. , Gratieri Tais , Cunha‐Filho Marcilio , Gelfuso Guilherme M.
Published: July 2019

A simple, stability‐indicating, chromatographic method of quantifying spironolactone (SPI) and its metabolite, canrenone (CAN), in the presence of excipients typical in dermatological formulations and skin matrices in studies of passive and iontophoretic permeation was proposed and validated here. SPI and CAN were separated using a reversed‐phase column with a mobile phase of methanol–water (60:40, v/v) at a flow rate of 1.0 mL/min. Data were collected with a UV detector at 238 and 280 nm, with retention times of 6.2 and 7.9 min for SPI and CAN, respectively. The method was precise, accurate and linear (r2 > 0.99) in a concentration range of 1–30 μg/mL, and recovery rates of SPI and CAN from the different skin layers exceeded 85%. The method was not only sensitive (LOD of 0.05 and 0.375 μg/mL and LOQ of 0.157 and 1.139 μg/mL for SPI and CAN, respectively) but also selective against skin matrices and highly representative components of topical formulations. The method moreover demonstrated SPI's degradation in iontophoresis by applying Pt–AgCl electrodes and its continued drug stability using Ag–AgCl electrodes. Altogether, the method proved valuable for quantifying SPI and CAN and may be applied in developing and controlling the quality of dermatological products.
Korean children's understanding of social media advergames: An exploratory study of ad recognition and skeptical attitudes toward advertising
Authors: An Soontae , Kang Hannah
Published: July 2019

This study explored Korean children's understanding of social media advergames. In particular, we investigated the effects of ad recognition and skeptical attitudes toward advertising on children's susceptibility to commercial influences. The results of a survey of 556 children, ranging in age from 7 to 11, showed that half of the children could correctly identify the social media advergame as a type of advertising, whereas the other half could not. Comparisons revealed that older students were better at recognizing commercial influences. In terms of children's intention to visit sites featured in advergames, students who were in a lower grade, female, or had high Internet usage were more likely to want to visit the store advertised. After controlling for demographics and media usage, children's ad recognition and skeptical attitudes, as well as the interaction term, were all statistically significant. The results underscore the importance of combining both cognitive and attitudinal advertising literacy.
A Fluorescence‐Based Assay for Screening β‐Lactams Targeting the Mycobacterium tuberculosis Transpeptidase LdtMt2
Authors: de Munnik Mariska , Lohans Christopher T. , Langley Gareth W. , Bon Corentin , Brem Jürgen , Schofield Christopher J.
Published: July 2019

Mycobacterium tuberculosis l,d‐transpeptidases (Ldts), which are involved in cell‐wall biosynthesis, have emerged as promising targets for the treatment of tuberculosis. However, an efficient method for testing inhibition of these enzymes is not currently available. We present a fluorescence‐based assay for LdtMt2, which is suitable for high‐throughput screening. Two fluorogenic probes were identified that release a fluorophore upon reaction with LdtMt2, thus making it possible to assess the availability of the catalytic site in the presence of inhibitors. The assay was applied to a panel of β‐lactam antibiotics and related inhibitors; the results validate observations that the (carba)penem subclass of β‐lactams are more potent Ldt inhibitors than other β‐lactam classes, though unexpected variations in potency were observed. The method will enable systematic structure–activity relationship studies on Ldts, thereby facilitating the identification of new antibiotics active against M. tuberculosis.
The Impact of Crystal Packing and Aurophilic Interactions on the Luminescence Properties in Polymorphs and Solvate of Aroylacetylide–Gold(I) Complexes
Authors: Głodek Marta , Pawlędzio Sylwia , Makal Anna , Plażuk Damian
Published: July 2019

The influence of the chemical substitution, crystal packing, and aurophilic interactions of the gold(I) acetylide complexes of the type (ArCOC≡C)nAuPEt3(n=1,2) on their luminescent properties were examined. All described complexes undergo ligand scrambling in solution, which results in the formation of stable, easily isolated crystals that contain [ArCO(C≡C)n]2Au−(Et3P)2Au+homoleptic species. In particular, we observed that the (benzoylacetylide)gold(I) complex yields three crystal forms with strikingly different luminescence properties. We monitored the conversion pathway for these forms: an orange luminescent form of homoleptic complex upon drying undergoes spontaneous transformation to bright green fluorescent form and finally to the weakly blue emissive one. In addition, we report a rare example of a helical arrangement of Au⋅Au⋅Au chains that are observed for the first time in acetylide gold(I) complexes in the case of heteroleptic (benzoylacetylide)gold(I) complex. This is a very rare case in which crystal structures and ensuing electronic properties of the heteroleptic and AuIcomplexes could be directly compared.
Direct Phenolysis Reactions of Unactivated Amides into Phenolic Esters Promoted by a Heterogeneous CeO2 Catalyst
Authors: Rashed Md. Nurnobi , Siddiki S. M. A. Hakim , Touchy Abeda Sultana , Jamil Md. A. R. , Poly Sharmin Sultana , Toyao Takashi , Maeno Zen , Shimizu Ken‐ichi
Published: July 2019

Invited for the cover of this issue are the groups of Ken‐ichi Shimizu at the Institute for Catalysis, Hokkaido University. The image depicts phenolysis of amides through C−N bond cleavage reaction catalyzed by CeO2. Read the full text of the article at 10.1002/chem.201901446.
Remote C(sp3)−H Arylation and Vinylation of N‐Alkoxypyridinium Salts to δ‐Aryl and δ‐Vinyl Alcohols
Authors: Bao Xu , Wang Qian , Zhu Jieping
Published: July 2019

The reaction of readily available and bench‐stable N‐alkoxypyridinium salts with arylboronic and vinylboronic acids afforded δ‐aryl and δ‐vinyl alcohols, respectively, in the presence of fac‐Ir(ppy)3 and Cu(OTf)2 dual catalysts. The reaction takes place through a domino process involving the reductive generation of alkoxyl radicals, 1,5‐hydrogen atom transfer (1,5‐HAT) and the copper‐catalyzed cross‐coupling reaction of the resulting translocated carbon radicals with boronic acids. Complementary to the Minisci reaction, this method allows for the arylation of nucleophilic alkyl radicals with both electron‐rich and electron‐poor arenes under mild reaction conditions.
Tierarzneimittel: Rückstände in Lebensmitteln und Umwelt
Authors: Hamscher Gerd
Published: July 2019

Die Belastung von tierischen Lebensmitteln durch Tierarzneimittelrückstände lag in den vergangenen Jahren auf einem sehr niedrigen Niveau, eine Gefährdung des Verbrauchers ist nicht zu erkennen. Tierarzneimittel und ihre Metaboliten findet man jedoch auch in sehr unterschiedlichen Umweltbereichen. Durch die Gülledüngung gelangen persistente Wirkstoffe in beachtlichen Mengen in landwirtschaftlich genutzte Böden, erreichen das Grundwasser und können auch in Pflanzen verlagert werden. Eine besondere Problematik stellen Antibiotika dar, deren unsachgemäße Verwendung die Zunahme antibiotikaresistenter Keime fördern kann. Dies ist mittlerweile in der Human‐ und Tiermedizin als ein gravierendes Gesundheitsproblem mit globaler Dimension erkannt worden. Umwelteinträge durch Tierarzneimittel können nur durch zahlreiche Maßnahmen auf unterschiedlichen Ebenen reduziert werden. An erster Stelle ist ein verantwortungsvoller und sparsamer Einsatz pharmakologisch wirksamer Substanzen zu nennen, der durch Überwachungsmaßnahmen gemäß Arzneimittlegesetz flankiert wird. Technologische Maßnahmen zur Behandlung von Wirtschaftsdüngern können nach derzeitigem Erkenntnisstand nur sehr begrenzt zu einer Reduktion der Umwelteinträge beitragen. Eine besondere Herausforderung liegt in der Vermittlung des aktuellen Wissens u.a. an Tierärzte, Landwirte und Mandatsträger.