bluuebunny/crossref_metadata_2025 huggingface dataset:
Isolation of mitraphylline from Uncaria tomentosa (Willd. ex Schult.) DC. barks and development of spectrophotometric method for total alkaloids determination in Cat's Claw samples
Authors: Gouvêa Marcos Martins , Pusceddu Breno Henrique , Pereira Netto Annibal Duarte , Peregrino Carlos Augusto de Freitas , Macedo Elizabeth Valverde , Mourão Samanta Cardozo , Marques Flávia Ferreira de Carvalho
Published: November 2019

Introduction

The usual quality control for Uncaria tomentosa (Willd. ex Schult.) DC. barks requires highly specific analytical standards and methods based on high‐performance liquid chromatography (HPLC), which impacts the costs of the analytical process and the final products.

Objective

To obtain an analytical reference standard of mitraphylline by isolation from U. tomentosa barks and develop a spectrophotometric method for determination of total alkaloids in samples of U. tomentosa.

Methodology

An alkaloid‐enriched extract was obtained by acid–base partition and mitraphylline was selectively precipitated using an 80:20 v/v toluene/hexane solution. The compound was characterised by HPLC‐UV/DAD (diode‐array detector), mass spectrometry, UV‐visible, infrared (IR) and 1H‐ and 13C‐nuclear magnetic resonance (NMR) spectroscopy. Sample preparation for the spectrophotometric method consisted of an extraction with boiling methanol (3 × 10 mL, 15 min), followed by a strong cation exchange solid phase extraction (SCX‐SPE) clean‐up.

Results

Mitraphylline with a purity of 98% was isolated in 0.05% m/m yield. All characterisation results were in agreement with previous published data. The spectrophotometric method showed linear range between 0.40 and 20 μg/mL; limits of detection and quantification of 0.15 and 0.49 μg/mg, respectively; dispersion of results lower than 5% for repeatability and intermediate precision; statistically proven accuracy by comparison with reference values obtained by Soxhlet and an HPLC‐UV/DAD method; and robustness in relation to sample mass extracted and extraction time.

Conclusion

The methods developed to obtain mitraphylline analytical standard from U. tomentosa barks and to determine total alkaloids by spectrophotometry provided a cheaper and faster quality control alternative for U. tomentosa samples.
Prevalence of mosaicism in uncultured chorionic villus samples after chromosomal microarray and clinical outcome in pregnancies affected by confined placental mosaicism
Authors: Lund Ida C. B. , Becher Naja , Christensen Rikke , Petersen Olav B. , Steffensen Ellen H. , Vestergaard Else M. , Vogel Ida
Published: November 2019

Objective

To evaluate the prevalence of mosaicism in chorionic villus sampling (CVS) samples after chromosomal microarray (CMA) and clinical outcome of pregnancies affected by confined placental mosaicism.

Method

We retrieved all results from CMA, array‐based comparative genomic hybridization, on CVS samples from January 2011 to November 2017 from Central and North Denmark Regions. Mosaic results from uncultured chorionic villi, cytotrophoblasts and mesenchymal cells, after CVS and follow‐up on amniocytes, fetal tissue, or postnatal blood were studied and matched with clinical data from The Danish Fetal Medicine Database.

Results

Prevalence of mosaicism was 93 out of 2,288 (4.1%) CVS samples of which 17 (18.3%) concerned submicroscopic copy number variations (CNVs) <10 Mb. Follow‐up analyses were performed in 62 cases. True fetal mosaicism (TFM) was confirmed in 18.4% (7/38) when mosaicism involved whole chromosome aneuploidy and in 25.0% (6/24), when involving a CNV (P = .59). Median birth weight z‐score was higher in cases of confined placental mosaicism for a CNV (0.21) than cases involving whole chromosomes (−0.74) (P = .02).

Conclusion

Prevalence of mosaicism in CVS samples is higher after CMA on uncultured tissue than after conventional karyotyping on cultured tissue. The risk of TFM is equally high in cases of mosaicism for CNVs and whole chromosomes.
Pyrene‐based fluorescent supramolecular hydrogel: scaffold for nanoparticle synthesis
Authors: Kar Tanmoy , Patra Nitai
Published: November 2019

The present work illustrates the design and development of pyrene‐based fluorescent supramolecular hydrogel consisting of l‐phenylalanine residue as the linker and ethyleneoxy unit with free primary amine at C‐terminal. The gelator efficiently immobilized aqueous media, and the critical gelation concentration (CGC) was found at 2.8 mM of the compound. Interestingly, the presence of pyrene moiety in the structure made the hydrogel intrinsically fluorescent. The self‐aggregation properties of the thermo‐reversible hydrogel were investigated using different microscopic and spectroscopic techniques such as high‐resolution transmission electron microscopy (HRTEM), Fourier transform infrared (FTIR) spectroscopy, fluorescence spectroscopy, and X‐ray diffraction (XRD) spectroscopy. A balanced participation of noncovalent interactions like hydrogen bonding, π‐π stacking, and van der Waals interaction was identified as the driving force for gelation. Rheological experiments were performed to confirm the viscoelastic nature of the prepared hydrogel. Furthermore, primary amine (─NH2) group of hydrogelator was utilized for the in situ synthesis of silver nanoparticles (AgNPs) within the soft material under sunlight in the absence of any external reducing and stabilizing agent.
Acyl guanidine functional poly(2‐oxazoline)s as reactive intermediates and stimuli‐responsive materials
Authors: Van Guyse Joachim F. R. , Xu Xiaowen , Hoogenboom Richard
Published: November 2019

The many postpolymerization modification opportunities of biocompatible poly(2‐alkyl/aryl‐2‐oxazoline)s (PAOx), such as thiol–ene/thiol–yne, azide–alkyne cycloadditions, amidation, and transesterification, are one of the most appealing features of this polymer class for its popularity in biomedicine. Inspired by recent reports on guanidine‐catalyzed transesterification and amidation reactions of methyl ester substrates, we explored the use of guanidines as a reactant for the modification of methyl ester functional PAOx, to obtain the respective acyl guanidines. The obtained acyl guanidines functional polymers display reactivity toward α‐haloketones, yielding imidazole functional PAOx. The obtained polymer structures are protonated in a broad pH range, and the acyl guanidine moiety is demonstrated to be a cleavable linker under basic conditions. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 2616–2624
Peroxisome proliferator‐activated receptor gamma controls prostate cancer cell growth through AR‐dependent and independent mechanisms
Authors: Elix Catherine C. , Salgia Meghan M. , Otto‐Duessel Maya , Copeland Ben T. , Yoo Christopher , Lee Michael , Tew Ben Yi , Ann David , Pal Sumanta K. , Jones Jeremy O.
Published: November 2019

Background

Prostate cancer (PC) remains a leading cause of cancer mortality and the most successful chemopreventative and treatment strategies for PC come from targeting the androgen receptor (AR). Although AR plays a key role, it is likely that other molecular pathways also contribute to PC, making it essential to identify and develop drugs against novel targets. Recent studies have identified peroxisome proliferator‐activated receptor gamma (PPARγ), a nuclear receptor that regulates fatty acid (FA) metabolism, as a novel target in PC, and suggest that inhibitors of PPARγ could be used to treat existing disease. We hypothesized that PPARγ acts through AR‐dependent and independent mechanisms to control PC development and growth and that PPARγ inhibition is a viable PC treatment strategy.

Methods

Immunohistochemistry was used to determine expression of PPARү in a cohort of patients with PC. Standard molecular techniques were used to investigate the PPARү signaling in PC cells as well a xenograft mouse model to test PPARү inhibition in vivo. Kaplan‐Meier curves were created using cBioportal.

Results

We confirmed the expression of PPARү in human PC. We then showed that small molecule inhibition of PPARγ decreases the growth of AR‐positive and ‐negative PC cells in vitro and that T0070907, a potent PPARγ antagonist, significantly decreased the growth of human PC xenografts in nude mice. We found that PPARγ antagonists or small interfering RNA (siRNA) do not affect mitochondrial activity nor do they cause apoptosis; instead, they arrest the cell cycle. In AR‐positive PC cells, antagonists and siRNAs reduce AR transcript and protein levels, which could contribute to growth inhibition. AR‐independent effects on growth appear to be mediated by effects on FA metabolism as the specific FASN inhibitor, Fasnall, inhibited PC cell growth but did not have an additive effect when combined with PPARγ antagonists. Patients with increased PPARү target gene expression, but not alterations in PPARү itself, were found to have significantly worse overall survival.

Conclusions

Having elucidated the direct cancer cell effects of PPARγ inhibition, our studies have helped to determine the role of PPARγ in PC growth, and support the hypothesis that PPARγ inhibition is an effective strategy for PC treatment.
The Limits of the Post‐Growth Optimization of AlN Thin Films Grown on Si(111) via Magnetron Sputtering
Authors: Solonenko Dmytro , Schmidt Constance , Stoeckel Chris , Hiller Karla , Zahn Dietrich R. T.
Published: November 2019

Hexagonal aluminium nitride (AlN) thin films prepared by the reactive magnetron sputtering method usually undergo post‐growth annealing treatment aimed at the improvement of crystalline quality as a principal step for their performance as piezoelectric transducers in micro‐electro‐mechanical systems. Herein, the post‐growth annealing of AlN films deposited on Si(111) is investigated by Raman and Fourier transform infrared spectroscopies, X‐ray diffraction, and scanning probe microscopies. The thermally treated films show a positive trend in stress relaxation via annealing up to 1200 °C; however, it is accompanied by a dewetting of the quasi‐epitaxial layer and the formation of the cubic AlN phase. The critical role is played by the AlN/Si interface being sensitive to oxidation via interstitial oxygen in Si wafers. The piezoelectric performance of the AlN/Si system is found to be inversely proportional to the post‐growth annealing temperature.
Crocin, an active constituent of Crocus sativus ameliorates cerulein induced pancreatic inflammation and oxidative stress
Authors: Godugu Chandraiah , Pasari Lakshmi P. , Khurana Amit , Anchi Pratibha , Saifi Mohd A. , Bansod Sapana P. , Annaldas Shivaraju
Published: November 2019

Acute pancreatitis (AP) is a disorder of the pancreas marked by profound inflammation and oxidative stress. Phytoconstituents presents an important toolbox of preventive strategies to combat inflammatory disorders. To this end, we selected the active constituent of Crocus sativus, crocin for evaluation against cerulein‐induced AP, owing to its promising antiinflammatory activity in acute as well as chronic inflammatory conditions. The animals were randomly divided into five groups comprising of normal control, cerulein control, crocin low dose (30 mg/kg), crocin high dose (100 mg/kg), and crocin control (100 mg/kg). Various biochemical parameters and the levels of inflammatory cytokines and p65‐NFκB were measured. The mechanism was investigated by histology and immunohistochemistry. We found that crocin significantly reduced the pancreatic edema, amylase, and lipase levels. It abrogated the oxidative stress incurred by cerulein challenge. We found that crocin modulated the pancreatic inflammatory cytokine levels. Crocin perturbed the nuclear translocation of p65‐NFκB. Crocin reverted the pancreatic histology associated with AP. Furthermore, it upregulated the expression of Nrf‐2 and downregulated the expression of IL‐6, TNF‐α, nitrotyrosine, and NFκB. Cumulatively, these results indicate that crocin has promising potential to prevent cerulein induced AP and regular intake of saffron can prove beneficial for the pancreatic health.
Topology and Interactions in the Photonic Creutz and Creutz‐Hubbard Ladders
Authors: Zurita Juan , Creffield Charles E. , Platero Gloria
Published: November 2019

The latest advances in the field of photonics have enabled the simulation of an increasing number of quantum models in photonic systems, turning them into an important tool for realizing exotic quantum phenomena. In this paper, different ways in which these systems can be used to study the interplay between flat band dynamics, topology, and interactions in a well‐known quasi‐1D topological insulator—the Creutz ladder—are suggested. First, a simple experimental protocol is proposed to observe the Aharonov–Bohm localization in the noninteracting system, and the different experimental setups that might be used for this are reviewed. The inclusion of a repulsive Hubbard‐type interaction term, which can give rise to repulsively bound pairs termed doublons, is then considered. The dynamics of these quasiparticles are studied for different points of the phase diagram, including a regime in which pairs are localized and particles are free to move. Finally, a scheme for the photonic implementation of a two‐particle bosonic Creutz‐Hubbard model is presented.
Does urban haze pollution inversely drive down the energy intensity? A perspective from environmental regulation
Authors: Hou Jian , Wang Jinghua , Chen Jiancheng , He Fang
Published: November 2019

Reducing energy intensity has consistently been advocated by the Chinese government in its effort to achieve sustainable development targets. Extant research suggests that energy consumption is often viewed as the primary cause of poor air quality. This paper investigates whether a certain threshold of environmental regulation causes the relationship to be reversed, that is, whether urban haze pollution could facilitate the reduction of energy intensity. On the basis of the city‐level panel data within the period of 2010–2015 in China, we systematically analyze the determinants of energy intensity and empirically investigate the dynamic threshold effects of environmental regulation on the association between urban haze pollution and energy intensity. The results suggest that serious haze pollution does reduce energy intensity, but it is dependent on environmental regulation. In particular, weak environmental regulation fails to optimize energy usage. With environmental regulation passing a critical threshold, urban haze pollution significantly decreases energy intensity. Therefore, the heterogeneous effect of environmental regulation across different regions should be considered. We find evidence that air pollution could inversely drive down energy intensity under a certain threshold level of environmental regulation. This result provides insights to policy makers and may help them design and implement more efficient urban environmental policies.
Real Time Detection of Hazardous Hydroxyl Radical Using an Electrochemical Approach
Authors: Huang Yujin , Sinha Ankita , Zhao Huimin , Dang Xueming , Zhang Yaobin , Quan Xie
Published: November 2019

The proposed work demonstrates an electrochemical strategy for hydroxyl radical (•OH) detection based on aptamer immobilized glassy carbon electrode (GCE). To enhance the sensitivity of the detection method, nitrogen doped porous carbon nanostructures (N−C) and gold nanoparticles (AuNPs) were used as signal amplifiers. During biosensor fabrication, thiolated DNA and 6‐mercaptohexanol (MCH) were self assembled on N−C/AuNPs modified GCE surface. The fabricated biosensor was characterized electrochemically by cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) which justified its high electronic conductivity. The aptamer immobilized electrode (N−C/AuNPs/DNA/MCH/GCE) was immersed in Fenton's reagent where oxidative damage of DNA occurred due to generated •OH. The DNA damage was monitored by hexaammineruthenium(III) (Ru(NH3)63+) which acted as electrochemical probe for sensitive detection of •OH. Square wave voltammetry (SWV) was used for •OH biosensing using simple, sensitive and rapid strategy at the fabricated electrode.
Complementary Bifunctional Unique Properties of (α,β)‐PbO Nanoparticles for Efficient Catalysis and Adsorption for Water Remediation
Authors: Guin Jhimli Paul , Neogy Suman , Kumar Pranaw , Bhardwaj Yatender K.
Published: November 2019

Lead oxides (PbO) of same chemical composition, but different crystallographic properties have been developed for complementary catalytic ozonation (designated by [PbO]a) and adsorption (designated by [PbO]b) of a model dye, reactive red–120 (RR‐120) with highest possible efficiency beyond the state‐of‐the‐art of individual processes. The highest extent of decolouration (∼99% after 4 min) with
1.77×10−2 s−1 and mineralization (50% after 15 min) of RR‐120 at pH 10.5 was achieved by ozonation using 0.5 g/L catalyst [PbO]a consisting major fraction of α‐PbO phase (α‐PbO: β‐PbO∼4:1) in its crystal structure. Minimum adsorption of RR‐120 (∼7%) on catalyst's surface [PbO]a led to higher accessibility of O3 to free catalyst surface sites and helped to achieve highest efficiency of catalytic ozonation. On the other hand, adsorbent [PbO]b mainly consisting of β‐PbO phase (α‐PbO: β‐PbO∼1:4) with a fractional coexistence of α‐PbO phase showed excellent adsorption of RR‐120 (571 mg/g at 320 K) at pH 7.5, but it showed inferior efficiency in catalytic ozonation. Both the materials were found to be reusable and environmentally acceptable.
Synthesis of NH2‐MIL‐125/NH2‐MIL‐125‐P@TiO2 and Its Adsorption to Uranyl Ions
Authors: Xu Cheng , Zhang Wei , Chen Yuantao , Hu Guangzhuang , Liu Rong , Han Zhen
Published: November 2019

Pollution in nuclear industry is a difficult problem to solve. To solve this problem, we synthesized the NH2‐MIL‐125 modified materials (MIL‐125‐P@TiO2) by hydrothermal synthesis and also investigated the adsorption properties of uranyl ions. To improve the adsorbability of materials, we loaded titanium dioxide and phosphorylate it. The materials were characterized by means of XRD, SEM, infrared, thermogravimetric and XPS. The adsorption properties of uranyl ions on the two materials were studied by batch adsorption experiments. The results showed that the maximum adsorption capacity of modified material is 333.62 mg/g and 614.82 mg/g at 25 degrees Celsius by fitting the Langmuir model respectively, and the modified material has a better adsorption ability at 25 degrees Celsius with initial uranium concentration at 100 mg/L.
Cyanuric‐Chloride‐Mediated Synthesis of 2‐Aryl‐3‐tert‐butoxycarbonyl‐thiazolidine‐4‐carboxylic Acid Anilides: Mechanistic, X‐Ray Crystal Structures and Cytotoxicity Studies
Authors: Jagtap Rohidas M. , Shaikh Samir R. , Gonnade Rajesh G. , Raheem Shabnam , Rizvi Masood A. , Pardeshi Satish K.
Published: November 2019

The ‘2R,4R’‐2‐aryl thiazolidine‐4‐carboxylic acid anilides (ATCAAs) were synthesized using cyanuric chloride (CC) as a clean and substoichiometric acid‐amine coupling agent under optimized reaction conditions. The diesterphenol intermediate based mechanism is proposed and supported by spectral characterization of the intermediate. The single crystal X‐ray structures of acid substrate (2R,4R)‐3‐(tert‐butoxycarbonyl)‐2‐(2‐methoxyphenyl)thiazolidine‐4‐carboxylic acid (3 a) and anilides (R)‐tert‐butyl 4‐(2‐fluorophenylcarbamoyl)thiazolidine‐3‐carboxylate (4 b), (2R,4R)‐tert‐butyl 2‐(2,6‐dichlorophenyl)‐4‐(m‐tolylcarbamoyl)thiazolidine‐3‐carboxylate (6 b) confirmed the formation of chiral anilides. The synthesized library of anilides [(R)‐tert‐butyl 4‐Aryl thiazolidine‐3‐carboxylate and (2R,4R)‐tert‐butyl 2‐Aryl‐4‐Aryl thiazolidine‐3‐carboxylate] 4 a‐6 f was screened for their in vitro anti cancer, neuronal and neuroprotective studies. The anilides 4 b, 4 g, 5 d, 5 h, 6 c and 6 f (where the aryl=2‐fluorophenylcarbamoyl, 4‐chlorophenylcarbamoyl, 2‐methoxyphenyl, 2,5‐dichlorophenylcarbamoyl, 2,6‐dichlorophenyl, 4‐chlorophenylcarbamoyl respectively)were found to be less cytotoxic towards N2 A, SHSY‐5Y neuronal cell lines in their differentiated and undifferentiated forms, and also exhibited dose dependant anti‐inflammatory properties for a possible identification towards neurodegenerative and inflammatory disorders.
Structure‐Activity Relationships of Au/Al2O3 Catalyst for the Selective Oxidative Esterification of 1,3‐Propanediol and Methanol
Authors: Zhao Guoming , Gao Enyuan , Wan Qiaoqiao , Liu Qing , Liang Junjie , Qiao Yingyun , Zhao Guangzhen , Tian Yuanyu
Published: November 2019

1.5 wt. % Au/Al2O3 catalysts were prepared using the deposition‐precipitation or colloid‐deposition method and calcined at different temperatures for the selective oxidative esterification reaction of 1,3‐propanediol and methanol to form methyl 3‐hydroxypropionate (3‐HPM). The catalysts were characterized by nitrogen adsorption, transmission electron microscopy (TEM), X‐ray diffraction (XRD), UV‐Vis diffuse reflectance spectroscopy, X‐ray photoelectron spectra (XPS), CO2 temperature‐programmed desorption (CO2‐TPD) and NH3 temperature‐programmed desorption (NH3‐TPD). The effect of the calcination temperature of the catalyst prepared by the deposition‐precipitation method on the catalytic performance for the selective oxidative esterification of 1,3‐propanediol was studied. The results showed that the conversion of 1,3‐propanediol and the selectivity of 3‐HPM increased at first and then decreased with the increase of the calcination temperature of catalyst. The highest conversion of 1,3‐propanediol and selectivity of 3‐HPM at the optimal calcination temperature of 350 °C were 92.0% and 88.5%, respectively. Considering the effects of preparation method and calcination temperature, it could be concluded that the metallic Au nanoparticles with appropriate particle size in coordination with the suitable amount of weak and middle acid and base sites, were favorable to the oxidative esterification of 1,3‐propanediol and methanol to 3‐HPM. Moreover, we found that the 1.5 wt. % Au/Al2O3 catalyst could be effectively recovered without obvious decline of the catalytic properties.
Biological Activity of ZnO Nanoparticles Synthesized from the Dried Rinds of Garcinia Gummi Gutta
Authors: Mannarmannan Meenakshi , Biswas Krishnendu
Published: November 2019

In the current study, we have reported a novel approach for synthesizing zinc oxide Nanoparticles (ZnO Nps) from (−)‐Hydroxy Citric Acid [(−)‐HCA] extracted from the dried rinds of the fruit Garcinia gummi‐gutta. The prepared nanoparticles were characterized by UV‐Vis spectroscopy (UV‐Vis), Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction (XRD), Scanning electron microscopy (SEM), Energy dispersive X‐ray analysis (EDAX) and High‐resolution transmission electron microscopy (HR‐TEM). Hydroxy citric acid (HCA) was used as a template to synthesize the ZnO Nps. The presence of (−)‐HCA was confirmed by High‐performance liquid chromatography (HPLC). Spherical clusters built of nanoparticle aggregates with the desired composition of ZnO were confirmed from the SEM‐EDAX and HRTEM analysis. The synthesized ZnO Nps showed a positive response for antibacterial, antifungal, antioxidant and cytotoxicity activities.
Design, Synthesis and Characterisation of Novel Phenothiazine‐Based Triazolopyridine Derivatives: Evaluation of Anti‐Breast Cancer Activity on Human Breast Carcinoma
Authors: Sachdeva Tanisha , Low May Lee , Mai Chun‐Wai , Cheong Siew Lee , Liew Yun Khoon , Milton Marilyn Daisy
Published: November 2019

A series of novel phenothiazine based [1,2,4]triazolo[4, 3‐a]pyridine scaffolds were designed and synthesized in good yields by the oxidative cyclisation of phenothiazine pyridylhydrazones. Biological responses of all compounds toward a panel of human breast cancer cells (MDA‐MB‐231, MDA‐MB‐468, MCF7, SKBR3 and T47D) and human non‐tumorigenic epithelial breast cells (MCF10 A) were evaluated. Structure‐activity relationship revealed that compound with pendant phenyl ring on phenothiazine exhibited significant cytotoxic activity and apoptotic induction effects against breast cancer cell line with IC50 value 10.2 to 17.6 μM. Notably, the cytotoxic effect was 3.5 fold higher on cancer than non‐cancer cells, indicating potential control of breast cancer with lower side effects. Molecular docking studies confirmed the presence of hydrophobic contacts between appended phenyl ring, triazolopyridine and phenothiazine moieties with adjacent residues within the binding pocket of tubulin. One of the nitrogen in the triazolo ring also showed hydrogen bonding with tubulin. These tubulin interactions were also found with the taxane ring of paclitaxel. Cell cycle analysis confirmed the G2/M arrest induced by this compound on human breast cancer cells. Therefore, the potential anti‐cancer, pro‐apoptotic, and cell cycle arrest warrant further development of this molecule as a new class of anticancer agent.
Switchable Regioselectivity in the Opening of Aziridine by Fluoride: DFT Calculation and Synthesis of Fluorinated Piperidines
Authors: Zou Liangjing , Ruan Yao , Jiang Wei , Yan Nan , Liu De‐Yong , Yu Chu‐Yi , Hu Xiang‐Guo
Published: November 2019

We have investigated the ring‐opening reaction of two pairs of aziridine‐containing piperidines by fluoride (TBAF). We find that the regioselectivities could be predicted according to the Fürst‐Platter rule and were switchable by the introducing or removing of the pseudo‐1,3‐allylic strain through protecting or deprotecting the nitrogen group of the piperidine. The DFT calculation validated the switchable regioselectivity based on pseudo‐1,3‐allylic strain argument. The synthetic utility of this work was demonstrated through the synthesis of four regio‐isomers of fluorinated piperidines and a fluorinated amino acid bearing a β‐fluoroamine group, valuable building blocks in medicinal chemistry. In a broader perspective, this work can serve as a clear example for the comparison of the chemical properties between an aziridine and an epoxide.
Conversion Synthesis of Self‐Standing Potassium Zinc Hexacyanoferrate Arrays as Cathodes for High‐Voltage Flexible Aqueous Rechargeable Sodium‐Ion Batteries
Authors: He Bing , Man Ping , Zhang Qichong , Wang Chao , Zhou Zhenyu , Li Chaowei , Wei Lei , Yao Yagang
Published: November 2019

Prussian blue analogs exhibit great promise for applications in aqueous rechargeable sodium‐ion batteries (ARSIBs) due to their unique open framework and well‐defined discharge voltage plateau. However, traditional coprecipitation methods cannot prepare self‐standing electrodes to meet the needs of wearable energy storage devices. In this work, a water bath method is reported to grow microcube‐like K2Zn3(Fe(CN)6)2·9H2O on carbon cloth (CC) using Zn nanosheet arrays as the zinc source and reducing agent, directly serving as a self‐standing cathode. Benefiting from fast ion diffusion and high conductivity, the cathode delivers a high areal capacity of 0.76 mAh cm−2 at 0.5 mA cm−2 and excellent capacity retention of 57.9% as the current density increases to 20 mA cm−2. By coupling with NaTi2(PO4)3 grown on CC as an anode, a quasi‐solid‐state flexible ARSIB with a high output voltage plateau of 1.6 V is successfully assembled, exhibiting a superior areal capacity of 0.56 mAh cm−2 and energy density of 0.92 mWh cm−2. In particular, the device shows admirable mechanical flexibility, maintaining 90.3% of initial capacity after 3000 bending cycles. This work is anticipated to open a new avenue for the rational design of self‐standing electrodes used in high‐voltage flexible ARSIBs.
A Flexible Loudspeaker Using the Movement of Liquid Metal Induced by Electrochemically Controlled Interfacial Tension
Authors: Jin Sang Woo , Jeong Yu Ra , Park Heun , Keum Kayeon , Lee Geumbee , Lee Yong Hui , Lee Hanchan , Kim Min Su , Ha Jeong Sook
Published: November 2019

A flexible liquid metal loudspeaker (LML) is demonstrated consisting of a gallium‐based eutectic liquid metal (Galinstan) and basic aqueous electrolyte (NaOH(aq)). The LML is driven by liquid metal motion induced by the electrochemically controlled interfacial tension of the Galinstan in NaOH(aq) electrolyte under an applied alternating current (AC) voltage. The fabricated LML produces sound waves in the human audible frequency band with a sound pressure level of ≈40–50 dB at 1 cm from the device and exhibits mechanical stability under bending deformation with a bending radius of 3 mm. Various sounds can be generated with the LML from a single tone to piano notes and human voices. To understand the underlying mechanism of sound generation by the LML, motion analyses, sound measurements, and electrical characterization are conducted at various frequencies. For the first time, this work suggests a new type of liquid metal‐based electrochemically driven sound generator in the field of flexible acoustic devices that can be applied to future wearable electronics.
Reversible Cavitation‐Induced Junctional Opening in an Artificial Endothelial Layer
Authors: Silvani Giulia , Scognamiglio Chiara , Caprini Davide , Marino Luca , Chinappi Mauro , Sinibaldi Giorgia , Peruzzi Giovanna , Kiani Mohammad F. , Casciola Carlo M.
Published: November 2019

Targeting pharmaceuticals through the endothelial barrier is crucial for drug delivery. In this context, cavitation‐assisted permeation shows promise for effective and reversible opening of intercellular junctions. A vessel‐on‐a‐chip is exploited to investigate and quantify the effect of ultrasound‐excited microbubbles—stable cavitation—on endothelial integrity. In the vessel‐on‐a‐chip, the endothelial cells form a complete lumen under physiological shear stress, resulting in intercellular junctions that exhibit barrier functionality. Immunofluorescence microscopy is exploited to monitor vascular integrity following vascular endothelial cadherin staining. It is shown that microbubbles amplify the ultrasound effect, leading to the formation of interendothelial gaps that cause barrier permeabilization. The total gap area significantly increases with pressure amplitude compared to the control. Gap opening is fully reversible with gap area distribution returning to the control levels 45 min after insonication. The proposed integrated platform allows for precise and repeatable in vitro measurements of cavitation‐enhanced endothelium permeability and shows potential for validating irradiation protocols for in vivo applications.
Recent Advances in Functionalized Carbon Dots toward the Design of Efficient Materials for Sensing and Catalysis Applications
Authors: Dhenadhayalan Namasivayam , Lin King‐Chuen , Saleh Tawfik A.
Published: November 2019

Since the past decade, enormous research efforts have been devoted to the detection/degradation and quantification of environmental toxic pollutants and biologically important molecules due to their ubiquitous necessity in the fields of environmental protection and human health. These fields of sensor and catalysis are advanced to a new era after emerging of nanomaterials, especially, carbon nanomaterials including graphene, carbon nanotube, carbon dots (C‐dots), etc. Among them, the C‐dots in the carbon family are rapidly boosted in the aspect of synthesis and application due to their superior properties of chemical and photostability, highly fluorescent with tunable, non/low‐toxicity, and biocompatibility. The C‐dot‐based functional materials have shown great potential in sensor and catalysis fields for the detection/degradation of environmental pollutants. The major advantage of C‐dots is that they can be easily prepared from numerous biomass/waste materials which are inexpensive and environment‐friendly and are suitable for a developing trend of sustainable materials. This review is devoted to the recent development (since 2017) in the synthesis of biomass‐ and chemical‐derived C‐dots as well as diverse functionalization of C‐dots. Their capability as a sensor and catalyst and respective mechanism are summarized. The future perspectives of C‐dots are also discussed.
Optimum design of permanent magnet synchronous generator based on MaxPro sampling and kriging surrogate model
Authors: Zeng Fanqi , Bu Jianguo , Yu Yan , Bian Haoran , Yang Lei , Zi Xinyun
Published: November 2019

In order to improve the efficiency and quality of a permanent magnet synchronous generator (PMSG) for vehicles, the parametric model and finite‐element model of the generator are established. The influence of seven structure parameters on three performance parameters is obtained by simulation analysis, and the sensitivity values of the parameters are given. According to the simulation results, it can be seen that the structure design parameters have higher degrees of freedom, and the relationship among parameters is complex. Using three multidimensional functions as test functions, the precision of the fitting method proposed in this paper is compared with that of the traditional methods. The test results show that, compared with the other methods, maximum projection (MaxPro) sampling and the Kriging method can select as fewer samples as possible while guaranteeing the higher fitting precision. Then, the Kriging surrogate model, which reflects the nonlinear relationship between the structure and performance parameters, is established, and the prediction precision of the model is verified. Based on the surrogate model, the performance of the generator with three performance parameters as optimized objects is optimized by use of elitist nondominated sorting genetic algorithm (NSGA‐II), and a Pareto optimal solution set of the objective function is obtained. Three of the optimal solutions are selected for finite‐element verification. The results show that the Kriging surrogate model can provide better global and local prediction between input and output variables. It is further proved that the samples obtained by MaxPro sampling can fully reflect the characteristics of the design space. The optimized objects can be weighed according to the optimal decision based on the results of multiobjective optimization through the Kriging surrogate model. The effectiveness of the optimization method is verified. It is of great engineering significance to improve the performance of generators, and the optimal model obtained by this method has an important reference value for prototype trial production. © 2019 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Validation of high‐impact weather event predictions using an integrated institutional–citizen observational network
Authors: Pavan Valentina , Celano Miria , Fornasiero Anna , Patruno Paolo , Poli Virginia , Selvini Andrea , Tesini Maria S.
Published: November 2019

An integrated institutional–citizen observational database has been created in the Emilia‐Romagna region (Italy) to monitor the occurrence of high‐impact weather events and validate the associated operational weather forecasts. In the following, after reporting the main characteristics of the database, its utility is presented for two extended snowfall events that occurred in January 2019, describing the observed synoptic conditions, the forecast for total precipitation, the forecast bulletins for total snow depth and their validations. The use of the integrated network allows an improved space coverage over the territory with respect to the specific snow parameter, especially in highly populated plain areas not covered by institutional data and likely to be more heavily affected by the presence of snow cover.
Topology optimization using a continuous-time high-cycle fatigue model
Authors: Suresh Shyam , Lindström Stefan B. , Thore Carl-Johan , Torstenfelt Bo , Klarbring Anders
Published: November 2019

We propose a topology optimization method that includes high-cycle fatigue as a constraint. The fatigue model is based on a continuous-time approach where the evolution of damage in each point of the design domain is governed by a system of ordinary differential equations, which employs the concept of a moving endurance surface being a function of the stress and back stress. Development of fatigue damage only occurs when the stress state lies outside the endurance surface. The fatigue damage is integrated for a general loading history that may include non-proportional loading. Thus, the model avoids the use of a cycle-counting algorithm. For the global high-cycle fatigue constraint, an aggregation function is implemented, which approximates the maximum damage. We employ gradient-based optimization, and the fatigue sensitivities are determined using adjoint sensitivity analysis. With the continuous-time fatigue model, the damage is load history dependent and thus the adjoint variables are obtained by solving a terminal value problem. The capabilities of the presented approach are tested on several numerical examples with both proportional and non-proportional loads. The optimization problems are to minimize mass subject to a high-cycle fatigue constraint and to maximize the structural stiffness subject to a high-cycle fatigue constraint and a limited mass.
Space-time topology optimization for additive manufacturing
Authors: Wang Weiming , Munro Dirk , Wang Charlie C. L. , van Keulen Fred , Wu Jun
Published: November 2019

The design of optimal structures and the planning of (additive manufacturing) fabrication sequences have been considered typically as two separate tasks that are performed consecutively. In the light of recent advances in robot-assisted (wire-arc) additive manufacturing which enable addition of material along curved surfaces, we present a novel topology optimization formulation which concurrently optimizes the structure and the fabrication sequence. For this, two sets of design variables, i.e., a density field for defining the structural layout, and a time field which determines the fabrication process order, are simultaneously optimized. These two fields allow to generate a sequence of intermediate structures, upon which manufacturing constraints (e.g., fabrication continuity and speed) are imposed. The proposed space-time formulation is general, and is demonstrated on three fabrication settings, considering self-weight of the intermediate structures, process-dependent critical loads, and time-dependent material properties.
A randomized, placebo-controlled, phase 1 study to evaluate the effects of TAK-063 on ketamine-induced changes in fMRI BOLD signal in healthy subjects
Authors: Yurgelun-Todd Deborah A. , Renshaw Perry F. , Goldsmith Paul , Uz Tolga , Macek Thomas A.
Published: November 2019

Rationale

Phosphodiesterase 10A inhibitor TAK-063 has shown effects that suggest efficacy in schizophrenia treatment.

Objective

This randomized, double-blind, placebo-controlled, incomplete-crossover study investigated effects of single oral administration of TAK-063 on ketamine-induced changes in blood oxygen level-dependent (BOLD) signal in healthy males.

Methods

Healthy men aged 18 to 45 years with normal magnetic resonance imaging (MRI) scans and electroencephalogram measurements at screening were eligible. Each subject was randomized to one of nine treatment schedules: all subjects received placebo and two of three doses of TAK-063 followed by ketamine. The primary endpoint was ketamine-induced brain activity in select regions of the brain during resting state. Secondary endpoints included pharmacokinetic parameters of TAK-063, proportion of subjects with treatment-emergent adverse events (AEs), and percentage of subjects meeting criteria for abnormal safety laboratory tests and vital sign measurements.

Results

The study comprised 27 subjects. Prior to ketamine infusion, TAK-063 exerted region-specific effects on resting state functional MRI (fMRI) BOLD signal. After ketamine administration, TAK-063 reduced the Cohen’s effect size for resting-state fMRI BOLD signal in key brain regions examined, and exerted similar effects on BOLD signal during the working memory task across all doses. TAK-063 was safe and well tolerated.

Conclusions

Our results are consistent with non-clinical studies of ketamine and TAK-063 and clinical studies of ketamine and risperidone. It is unknown whether these data are predictive of potential antipsychotic efficacy, and further analyses are required.
Individualized discrimination of tumor recurrence from radiation necrosis in glioma patients using an integrated radiomics-based model
Authors: Wang Kai , Qiao Zhen , Zhao Xiaobin , Li Xiaotong , Wang Xin , Wu Tingfan , Chen Zhongwei , Fan Di , Chen Qian , Ai Lin
Published: November 2019

Purpose

To develop and validate an integrated model for discriminating tumor recurrence from radiation necrosis in glioma patients.

Methods

Data from 160 pathologically confirmed glioma patients were analyzed. The diagnostic model was developed in a primary cohort (n = 112). Textural features were extracted from postoperative 18F-fluorodeoxyglucose (18F-FDG) positron emission tomography (PET), 11C-methionine (11C-MET) PET, and magnetic resonance images. The least absolute shrinkage and selection operator regression model was used for feature selection and radiomics signature building. Multivariable logistic regression analysis was used to develop a model for predicting tumor recurrence. The radiomics signature, quantitative PET parameters, and clinical risk factors were incorporated in the model. The clinical value of the model was then assessed in an independent validation cohort using the remaining 48 glioma patients.

Results

The integrated model consisting of 15 selected features was significantly associated with postoperative tumor recurrence (p < 0.001 for both primary and validation cohorts). Predictors contained in the individualized diagnosis model included the radiomics signature, the mean of tumor-background ratio (TBR) of 18F-FDG, maximum of TBR of 11C-MET PET, and patient age. The integrated model demonstrated good discrimination, with an area under the curve (AUC) of 0.988, with a 95% confidence interval (CI) of 0.975–1.000. Application in the validation cohort showed good differentiation (AUC of 0.914 and 95% CI of 0.881–0.945). Decision curve analysis showed that the integrated diagnosis model was clinically useful.

Conclusions

Our developed model could be used to assist the postoperative individualized diagnosis of tumor recurrence in patients with gliomas.
Factors Predictive of Ventilator‐associated Pneumonia in Critically Ill Trauma Patients
Authors: Younan Duraid , Delozier Sarah J. , Adamski John , Loudon Andrew , Violette Aisha , Ustin Jeffrey , Tinkoff Glen , Moorman Matthew L. , McQuay Nathaniel ,   UHRISES Research Consortium
Published: November 2019

Background

Ventilator‐associated pneumonia (VAP) is a serious complication of mechanical ventilation. We sought to investigate factors associated with the development of VAP in critically ill trauma patients.

Methods

We conducted a retrospective review of trauma patients admitted to our trauma intensive care unit between 2016 and 2018. Patients with ventilator‐associated pneumonia were identified from the trauma database. Data collected from the trauma database included demographics (age, gender and race), mechanism of injury (blunt, penetrating), injury severity (injury severity score “ISS”), the presence of VAP, transfused blood products and presenting vital signs.

Results

A total of 1403 patients were admitted to the trauma intensive care unit (TICU) during the study period; of these, 45 had ventilator‐associated pneumonia. Patients with VAP were older (p = 0.030), and they had a higher incidence of massive transfusion (p = 0.015) and received more packed cells in the first 24 h of admission (p = 0.028). They had a higher incidence of face injury (p = 0.001), injury to sternum (p = 0.011) and injury to spine (p = 0.024). Patients with VAP also had a higher incidence of acute kidney injury (AKI) (p < 0.001) and had a longer ICU (p < 0.001) and hospital length of stay (p < 0.001). Multiple logistic regression models controlling for age and injury severity (ISS) showed massive transfusion (p = 0.017), AKI (p < 0.001), injury to face (p < 0.001), injury to sternum (p = 0.007), injury to spine (p = 0.047) and ICU length of stay (p < 0.001) to be independent predictors of VAP.

Conclusions

Among critically ill trauma patients, acute kidney injury, injury to the spine, face or sternum, massive transfusion and intensive care unit length of stay were associated with VAP.
Position of the Pancreas Division Line and Postoperative Outcomes After Distal Pancreatectomy
Authors: Matsui Satoshi , Ogura Toshiro , Ban Daisuke , Ogawa Kosuke , Ono Hiroaki , Mitsunori Yusuke , Kudo Atsushi , Tanaka Shinji , Tanabe Minoru
Published: November 2019

Background

In distal pancreatectomy (DP), the position of the pancreas division line (PDL) changes depending on the location or nature of the tumor. Here, we investigated the relationship between PDL and postoperative complications after DP.

Methods

We retrospectively analyzed data of 140 patients who underwent DP at Tokyo Medical and Dental University Hospital between January 2011 and September 2018. PDL was defined as the distance from the left margin of the portal vein to the edge of the pancreatic stump on the coronal plane of computed tomography.

Results

The mean PDL was 15.1 (range 0–74.3) mm. PDL was significantly longer in patients with portal venous system thrombosis (PVST) than in those without PVST (47.6 vs. 0 mm, p < 0.001). The PDLlong (≥ 20 mm) group underwent surgery with a significantly shorter duration (253 vs. 294 min, p < 0.001) and experienced a lower volume of blood loss (20 vs. 256.5 mL, p < 0.001) than the PDLshort (< 20 mm) group. Six months after surgery, the increase in HbA1c level was significantly higher in the PDLshort group than in the PDLlong group (0.5 vs. 0.35%, p = 0.041). Except for PVST, there was no significant difference in postoperative complications between the two groups.

Conclusions

In DP, pancreas resection with a longer PDL resulted in a significantly shorter duration of surgery, lower estimated blood loss, and superior glucose tolerance than that with a shorter PDL.
A high serum-free fatty acid level is associated with cancer
Authors: Zhang Lili , Han Lei , He Juan , Lv Jing , Pan Rongfang , Lv Teng
Published: November 2019

Purpose

The objectives of this work were to investigate whether the serum-free fatty acid (FFA) level is meaningful in cancer patients and its role in cancer diagnosis.

Methods

A total of 2206 patients were divided into a cancer group (n = 1019) and a noncancer group (n = 1187). Age, sex, body mass index (BMI), and serum FFA and serum albumin levels were collected. Cancer patients were divided into subgroups according to the location of the cancer. We then compared serum FFA levels among the tumor subgroups. A receiver operating characteristic (ROC) curve analysis was performed to further evaluate the diagnostic ability of the FFA level. SPSS 22.0 software was used to analyze the results.

Results

The FFA level was higher in the cancer group than in the noncancer group. According to the multivariate analysis, there was also an increased risk of cancer associated with a high FFA level after adjusting for old age, female sex, and a low BMI. In the subgroup analysis, the FFA level in patients with lung cancer, gastric cancer, thyroid cancer, rectal cancer, colon cancer, and ovarian cancer was significantly higher than that in noncancer patients. The area under the effect–time curve (AUC) of FFAs in the whole cancer group was 0.58, while the thyroid cancer, rectal cancer, and ovarian cancer subgroups had AUCs > 0.6.

Conclusion

Our study provides clinical evidence to support that fatty acid metabolism is associated with cancers and demonstrates that a high FFA level in the serum may be an indicator of cancer.