bluuebunny/crossref_metadata_2025 huggingface dataset:
LncRNA BDNF‐AS suppresses colorectal cancer cell proliferation and migration by epigenetically repressing GSK‐3β expression
Authors: Zhi Hui , Lian Jiayu
Published: May 2019

This study was designed to investigate the molecular mechanism and biological roles of long non‐coding RNA (lncRNA) brain‐derived neurotrophic factor antisense (BDNF‐AS) in colorectal cancer (CRC). The quantitative real‐time PCR (qRT‐PCR) and western blotting were performed to detect the expressions of lncRNA BDNF‐AS and glycogen synthase kinase‐3β (GSK‐3β) in human CRC tissues and cell lines. The cell proliferation, transwell migration, and invasion assays were carried out to evaluate the effect of lncRNA BDNF‐AS on the growth of CRC cells. RNA pull‐down and RNA immunoprecipitation (RIP) assays were conducted to confirm the interaction between lncRNA BDNF‐AS and enhancer of Zeste Homologue 2 (EZH2). Chromatin immunoprecipitation (ChIP) assay was used to verify the enrichment of EZH2 and histone H3 lysine 27 trimethylation (H3K27me3) in the promoter region of GSK‐3β in CRC cells. LncRNA BDNF‐AS expression was significantly decreased, while GSK‐3β was highly expressed in human CRC tissues and cell lines. Moreover, lncRNA BDNF‐AS induced inhibition of proliferation, migration, and invasion of CRC cells via inhibiting GSK‐3β expression. Mechanistically, BDNF‐AS led to GSK‐3β promoter silencing in CRC cells through recruitment of EZH2. In conclusion, lncRNA BDNF‐AS functioned as an oncogene in CRC and shed new light on lncRNA‐directed therapeutics in CRC.

Significance of the study

LncRNA BDNF‐AS is recently reported to be remarkably downregulated in a variety of tumours and served as a tumour suppressor. However, the functions and underlying mechanism of lncRNA BDNF‐AS in CRC pathogenesis have not been reported yet. Our study is the first to demonstrate the effect of lncRNA BDNF‐AS in CRC and revealed that lncRNA BDNF‐AS expression is negatively correlated with the aggressive biological behaviour of CRC. Further investigation demonstrated that lncRNA BDNF‐AS functioned as a tumour suppressor in CRC progression by suppressing GSK‐3β expression through binding to EZH2 and H3K27me3 with the GSK‐3β promoter, shedding light on the diagnosis and therapy for CRC.
Blockade of AT1 receptor restore the migration of vascular smooth muscle cells in high sodium medium
Authors: Brun Bruna F. , Strela Felipe B. , Berger Rebeca C. M. , Melo Stéphano F. S. , de Oliveira Edilamar M. , Barauna Valério G. , Vassallo Paula F.
Published: May 2019

The present study aimed to test the hypothesis that increased sodium concentration affects the migratory phenotype of vascular smooth muscle cells (VSMCs) independently of the haemodynamic factors. Cell migration was evaluated by wound‐healing assay under the following conditions: high sodium (HS, 160 mM) and control (CT, 140 mM). Cell viability was assessed by annexin V and propidium iodide labeling. Cyclooxygenase‐2 (COX‐2) gene expression was analysed by reverse transcription polymerase chain reaction. ERK1/2 phosphorylation was assessed by western blot. Exposure of VSMCs to HS reduced migration, and AT1R blockade prevented this response. HS increased COX‐2 gene expression, and COX‐2 blockade prevented the reduction in VSMC migration induced by HS. HS also increased ERK1/2 phosphorylation, and ERK1/2 inhibition recovered VSMC migration as well as blocked COX‐2 gene expression. The TXA2 receptor blocker, but not the prostacyclin receptor blocker, prevented the HS‐induced VSMCs migration decrease. HS reduces the migration of VSMCs by increasing COX‐2 gene expression via AT1R‐ERK1/2 phosphorylation. In addition, increased COX‐2 by HS seems to modulate the reduction of VSMCs migration by the TXA2 receptor.
Explantation and reimplantation of a breast implant to facilitate minimally invasive mitral valve surgery and cryoablation of atrial fibrillation
Authors: Cetinkaya Ayse , Borsche André , Hein Stefan , Bramlage Peter , Schoenburg Markus , Richter Manfred
Published: May 2019

Clinicians can feel confident about performing mitral repair/replacement in patients who have previously undergone mammoplasty. It may also have applications in performing atrial septal defect closure, Maze procedures for atrial fibrillation, and tricuspid valve surgery in patients with breast implants.
Rational Design of Transition Metal Co‐doped Ceria Catalysts for Low‐Temperature CO Oxidation
Authors: Kim Hyung Jun , Lee Geonhee , Jang Myeong Gon , Noh Kyung‐Jong , Han Jeong Woo
Published: May 2019

The front cover artwork for Issue 09/2019 is provided by researchers from Computational Catalysis and Emerging Materials Laboratory (CCEL) at Pohang University of Science and Technology and the University of Seoul (Republic of Korea). The image shows rational design of transition metal co‐doped ceria catalyst to be used for automobile exhaust removal. See the Full Paper itself at https://doi.org/10.1002/cctc.201900178.
Pyrrole‐Based π‐System–PtII Complexes: Chiroptical Properties and Excited‐State Dynamics with Microsecond Triplet Lifetimes
Authors: Hirata Goki , Kobayashi Yoichi , Sato Ryuma , Shigeta Yasuteru , Yasuda Nobuhiro , Maeda Hiromitsu
Published: May 2019

Heteroleptic PtII complexes comprising π‐extended dipyrrins and 2‐phenylquinoline were prepared. Single‐crystal X‐ray analysis disclosed the stepped conformations of two ligand moieties in these PtII complexes. The enantiomers could be separated by HPLC and their configurations were determined from CD spectroscopy results and TD‐DFT calculations. Transient absorption measurements revealed excited‐state dynamics characterized by fast intersystem crossing and microsecond‐order triplet‐state lifetimes.
An efficient similarity join approach on large‐scale high‐dimensional data using random projection
Authors: Ma Youzhong , Zhang Ruiling , Jia Shijie , Zhang Yongxin , Meng Xiaofeng
Published: May 2019

Similarity join on large‐scale high‐dimensional data faces major challenges because of the data scale and the cure of dimensionality. Random projection with p‐stable distribution can reduce the high‐dimensional data form d‐dimension to k‐dimension (k ≪ d), the distance of the data in k‐dimensional space can be used to filter out as many data pairs as possible at relative low cost. Based on the above idea, we proposed two novel approaches to deal with large‐scale high‐dimensional data similarity join: projection‐based similarity join (PromSimJ) algorithm and projection space partitioning–based similarity join (ProSPSimJ) algorithm. The comprehensive experiments were performed to test the performance of the above methods. We also compared the performance of the above methods with that of the naive method block nested loop join. The final experimental results prove that our approaches have much better performance and good scalability.
Willingness of individuals with eating disorders to participate in health research
Authors: Nutley Sara , Varma Deepthi , Chen Xinguang , Striley Catherine W.
Published: May 2019

Background/Aims

This study examines the association between eating disorders (EDs) and willingness to participate in health research studies among community members.

Materials & Method

Data were collected from Health Street, a University of Florida community engagement initiative which aims to reduce disparities in healthcare and health research by direct engagement of community members.

Results

Among 8,226 community members, 3.9% (n = 324) reported a lifetime ED. For all six types of health research studies queried, individuals with a lifetime ED reported a higher willingness to participate in health research compared to individuals without a history. After adjusting for selected covariates, individuals with ED were significantly more likely than individuals without ED to say they would be willing to volunteer for research studies that: ask questions about health (OR: 7.601, 95% CI: [1.874, 30.839]); require an overnight stay in a hospital (OR: 2.041, 95% CI: [1.442, 2.889]); and provide no remuneration (OR: 1.415, 95% CI: [1.022, 1.958]). Furthermore, when compared to individuals with anxiety or depression, individuals with ED reported increased interest in research participation and increased willingness to participate in most types of research studies assessed. After stratifying by gender and race, we observed few differences in willingness to participate in research among individuals with ED.

Discussion

These findings contribute to our current understanding of participant recruitment and enrollment in ED health research. Underrepresented populations who often do not seek treatment for EDs endorsed a high willingness to participate.

Conclusion

Future studies will likely benefit from including community members in ED research.
Effects of habitat area and spatial configuration on biodiversity in an experimental intertidal community
Authors: Loke Lynette H. L. , Chisholm Ryan A. , Todd Peter A.
Published: May 2019

Isolating the effects of fragmentation per se (i.e., spatial configuration of habitat patches) on species richness is an ongoing challenge as habitat configuration often covaries with the amount of habitat. Consequently, there is a lack of experimental evidence for configurational effects on species richness in the whole landscape. Here, we developed a novel experimental system for testing the independent and interactive effects of habitat area and configuration on tropical intertidal species richness. Our results confirmed the expectation that average species richness would increase monotonically with habitat area. More intriguingly, we found mixed evidence for a non‐monotonic relationship between species richness and fragmentation per se, with the highest richness at intermediate fragmentation configuration, that is, when habitat tiles were placed in a “several‐small” configuration. The effect of habitat configuration was not due to passive sampling (since area was controlled for), variation in total individual abundance, or niche specialization of species to different landscape configurations. We postulate that a combination of processes, including local negative density dependence and dispersal limitation, could give rise to the observed pattern. We emphasize the importance of considering configurational effects on biodiversity at broader spatial scales and for more experimental research to delve into the mechanisms driving the patterns seen here.
Halogen‐ and Counterion‐Modulated Photochromic and Photoluminescence Properties of Haloargentate Hybrids
Authors: Shen Junju , Zhang Xiaoli , Kang Xiaoli , Hao Pengfei , Fu Yunlong
Published: May 2019

Five haloargentate hybrids with isostructural 1D [Ag2X3]nn– (X = Br/I) anionic chains have been designed and solvothermally synthesized with saturated tetraethylammonium (TEA+) and unsaturated methylated/ethylated 3‐cyanopyridinium (MCP+/ECP+) cations, which show reversible photochromic behavior and switchable photoluminescence based on photolysis of haloargentate anions. Existence of mixed halides and introduction of electron deficient organic cations can significantly enhance their photosensitivity.
New Spin‐Crossover Complexes of Substituted 2,6‐Bis(pyrazol‐3‐yl)pyridines
Authors: Pavlov Alexander A. , Aleshin Dmitry Yu. , Nikovskiy Igor A. , Polezhaev Alexander V. , Efimov Nikolay N. , Korlyukov Alexander A. , Novikov Valentin V. , Nelyubina Yulia V.
Published: May 2019

Here we report two new ligands from a 2,6‐bis(pyrazol‐3‐yl)pyridine family often used in spin‐crossover research and their iron(II) and cobalt(II) complexes with the metal ion trapped in the high‐spin state in solids (according to magnetometry and X‐ray diffraction data). The iron(II) complexes, however, show a gradual spin‐crossover in acetonitrile solution, as probed by the popular Evans method and an analysis of temperature dependent chemical shifts, both rooted in variable‐temperature NMR spectroscopy. The observed stabilization of the high‐spin state by the electron‐withdrawing substituents mirrors the trend previously reported for spin‐crossover iron(II) complexes of isomeric 2,6‐bis(pyrazol‐1‐yl)pyridines.
Pyridoacridines in the 21st Century
Authors: Joule John A. , Álvarez Mercedes
Published: May 2019

This minireview summarizes the work developed during this century with compounds containing the pyridoacridine scaffold in its different isomeric forms. The isolation of natural products, syntheses, bioactivities, chelation capacity, and other properties of compounds containing this framework are discussed. For reasons of length, only compounds containing a maximum of seven condensed rings have been considered, with a few exceptions.
Multigram Synthesis of Functionalized Spirocyclic Diazirines
Authors: Martyloga Oleksandr V. , Myronenko Artamon , Tkachenko Anton M. , Matvienko Vitalii O. , Kuchkovska Yuliya O. , Grygorenko Oleksandr O.
Published: May 2019

An approach to the synthesis of spirocyclic diazirines from cyclic ketones was examined on a series of carbo‐ and heterocyclic substrates containing the amine or carboxylic acid moiety. A mini‐library of stereochemically diverse functionalized spirocyclic diazirines was synthesized on a multigram scale with 30–81 % yield.
Gold‐Catalyzed Highly Chemo‐ and Regioselective C‐H Bond Functionalization of Phenols with Haloalkynes
Authors: Adak Tapas , Schulmeister Jürgen , Dietl Martin C. , Rudolph Matthias , Rominger Frank , Hashmi A. Stephen K.
Published: May 2019

A highly chemo‐ and stereoselective addition of unprotected phenols to haloalkynes was developed. A ligand and counterion controlled process enabled the highly site‐selective and chemoselective C‐H bond functionalization of phenol derivatives with haloalkynes in moderate to excellent yield at room temperature. The simple availability of the starting materials in combination with the preferred para‐C‐H functionalization over a competing O‐H insertion makes this an attractive protocol. The stereoselectivity of the products depends on the choice of the catalyst. From a synthetic prospective, this method offers an efficient route towards vinyl chlorides, which are valuable precursors for the synthesis of pharmaceutical drugs.
The origin and persistence of alpine vernal ponds in mineral soils
Authors: Harrison‐Day Violet , Atkinson Joe , Kirkpatrick Jamie B.
Published: May 2019

Little is known of the processes that create and maintain vernal ponds in mineral soils in alpine environments. On the Central Plateau, Tasmania, we tested the hypotheses that vernal pond complexes on mineral soils formed in response to the underlying topography of a glacio‐fluvial plain; relate to present day topography; resulted from past damming by organic accumulation; are moulded by wind. The underlying topography did not relate to the surface ponds, nor were they on steeper slopes than adjacent areas without ponds. The morphology of the ponds and the morphological and edaphic characteristics of the pond complexes and adjacent areas are consistent with an origin by organic material damming. The strongest winds orientate most ponds, rather than the aspect of the slope. Sediments were preferentially caught on sticky traps to the northeast of the ponds, away from fierce prevailing southwesterly winds. Temperature measurements and fortnightly observation showed non‐concordant patterns of variation in water levels in the ponds. We deduce that the complexes of vernal ponds may have formed in previous moister conditions more favourable to organic matter accumulation, possibly in the early Holocene, and are maintained by a faster rate of accumulation of mineral and organic particles in the tussock grassland adjacent to the ponds than in the ponds themselves. © 2019 John Wiley & Sons, Ltd.
Decadal morphological evolution of the mouth zone of the Yangtze Estuary in response to human interventions
Authors: Zhu Chunyan , Guo Leicheng , van Maren Dirk Sebastiaan , Tian Bo , Wang Xianye , He Qing , Wang Zheng Bing
Published: May 2019

The morphology of the Yangtze Estuary has changed substantially at decadal time scales in response to natural processes, local human interference and reduced sediment supply. Due to its high sediment load, the morphodynamic response time of the estuary is short, providing a valuable semi‐natural system to evaluate large‐scale estuarine morphodynamic responses to interference. Previous studies primarily addressed local morphologic changes within the estuary, but since an overall sediment balance is missing, it remains unclear whether the estuary as a whole has shifted from sedimentation to erosion in response to reduced riverine sediment supply (e.g. resulting from construction of the Three Gorges Dam). In this paper we examine the morphological changes of two large shoals in the mouth zone (i.e. the Hengsha flat and the Jiuduan shoal) using bathymetric data collected between 1953 and 2016 and a series of satellite images. We observe that the two shoals accreted at different rates before 2010 but reverted to erosion thereafter. Human activities such as dredging and dumping contribute to erosion, masking the impacts of sediment source reduction. The effects of local human intervention (such as the construction of a navigation channel) are instantaneous and are likely to have already resulted in new dynamic equilibrium conditions. The morphodynamic response time of the mouth zone to riverine sediment decrease is further suggested to be >30 years (starting from the mid‐1980s). Accounting for the different adaptation time scales of various human activities is essential when interpreting morphodynamic changes in large‐scale estuaries and deltas. © 2019 John Wiley & Sons, Ltd.
Plasma Cholinesterase Activity in Wild Birds from Undisturbed Woodlands in the Central Monte Desert
Authors: Quero Arnoldo Ángel Martín , Zarco Agustín , Landa Florencia Belén , Gorla Nora Bibiana María
Published: May 2019

Plasma cholinesterase activity is a biomarker sensitive to the effect of organophosphate and carbamate pesticides, and its enzymatic levels have been previously unknown for most of the wild birds analyzed in the present study. Our objectives were to establish plasma acetylcholinesterase levels in songbirds of 2 undisturbed sites in the central Monte Desert (Argentina). We also examined the influence on cholinesterase activity of age, sex, body condition, feeding and migratory habits, and species. One hundred and sixty-five wild birds belonging to 26 species were studied. The values obtained for acetylcholinesterase activity provide a good estimate of the normal values in free-living individuals of the species Zonotrichia capensis, Molothrus bonariensis, Passer domesticus, Diuca diuca, Poospiza ornata, Saltator aurantiirostris, Gryseotyrannus aurantioatrocristatus, and Columbina picui, with interspecies differences. The median enzymatic levels ± standard error of the mean ranged from 546.31 ± 17.97 μmol min–1 L–1 in P. domesticus to 3439.90 ± 173.92 μmol min–1 L–1 in Tyrannus melancholicus. No significant differences were detected between different sexes or ages. Birds that migrate (which are also insectivores) showed higher levels of cholinesterase than residents (mainly granivores). It is recommended that in cases of bird poisoning, plasma cholinesterase activity can be used as a diagnostic tool only if pre-exposure levels obtained in the same species are available, and ideally evaluated in individuals from the same biogeographical region. Environ Toxicol Chem 2019;38:1692–1700. © 2019 SETAC

Abstract

Prosopis flexuosa, a shrubby tree characteristic of the central Monte Desert, Argentina, a passerine, and the plasma cholinesterase reaction. AChE = acetylcholinesterase.
Hippo Signaling Controls NLR Family Pyrin Domain Containing 3 Activation and Governs Immunoregulation of Mesenchymal Stem Cells in Mouse Liver Injury
Authors: Li Changyong , Jin Yuting , Wei Song , Sun Yishuang , Jiang Longfeng , Zhu Qiang , Farmer Douglas G. , Busuttil Ronald W. , Kupiec‐Weglinski Jerzy W. , Ke Bibo
Published: May 2019

The Hippo pathway, an evolutionarily conserved protein kinase cascade, tightly regulates cell growth and survival. Activation of yes‐associated protein (YAP), a downstream effector of the Hippo pathway, has been shown to modulate tissue inflammation. However, it remains unknown as to whether and how the Hippo‐YAP signaling may control NLR family pyrin domain containing 3 (NLRP3) activation in mesenchymal stem cell (MSC)‐mediated immune regulation during liver inflammation. In a mouse model of ischemia/reperfusion (IR)‐induced liver sterile inflammatory injury, we found that adoptive transfer of MSCs reduced hepatocellular damage, shifted macrophage polarization from M1 to M2 phenotype, and diminished inflammatory mediators. MSC treatment reduced mammalian Ste20‐like kinase 1/2 and large tumor suppressor 1 phosphorylation but augmented YAP and β‐catenin expression with increased prostaglandin E2 production in ischemic livers. However, disruption of myeloid YAP or β‐catenin in MSC‐transferred mice exacerbated IR‐triggered liver inflammation, enhanced NLRP3/caspase‐1 activity, and reduced M2 macrophage phenotype. Using MSC/macrophage coculture system, we found that MSCs increased macrophage YAP and β‐catenin nuclear translocation. Importantly, YAP and β‐catenin colocalize in the nucleus while YAP interacts with β‐catenin and regulates its target gene X‐box binding protein 1 (XBP1), leading to reduced NLRP3/caspase‐1 activity after coculture. Moreover, macrophage YAP or β‐catenin deficiency augmented XBP1/NLRP3 while XBP1 deletion diminished NLRP3/caspase‐1 activity. Increasing NLRP3 expression reduced M2 macrophage arginase1 but augmented M1 macrophage inducible nitric oxide synthase expression accompanied by increased interleukin‐1β release. Conclusion: MSCs promote macrophage Hippo pathway, which in turn controls NLRP3 activation through a direct interaction between YAP and β‐catenin and regulates XBP1‐mediated NLRP3 activation, leading to reprograming macrophage polarization toward an anti‐inflammatory M2 phenotype. Moreover, YAP functions as a transcriptional coactivator of β‐catenin in MSC‐mediated immune regulation. Our findings suggest a therapeutic target in MSC‐mediated immunotherapy of liver sterile inflammatory injury.
GDNF‐ADSCs‐APG embedding enhances sciatic nerve regeneration after electrical injury in a rat model
Authors: Zheng Zhao , Liu Jiaqi
Published: May 2019

The pluripotency of adipose‐derived stem cells (ADSCs) makes them appropriate for tissue repair and wound healing. Owing to the repair properties of autologous platelet–rich gel (APG), which is based on easily accessible blood platelets, its clinical use has been increasingly recognized by physicians. The aim of this study was to investigate the effect of combined treatment with ADSCs and APG on sciatic nerve regeneration after electrical injury. To facilitate the differentiation of ADSCs, glial cell line–derived neurotrophic factor (GDNF) was overexpressed in ADSCs by lentivirus transfection. GDNF‐ADSCs were mingled with APG gradient concentrations, and in vitro, cell proliferation and differentiation were examined with 5‐ethynyl‐2′‐deoxyuridine staining and immunofluorescence. A rat model was established by exposing the sciatic nerve to an electrical current of 220 V for 3 seconds. Rat hind‐limb motor function and sciatic nerve regeneration were subsequently evaluated. Rat ADSCs were characterized by high expression of CD90 and CD105, with scant expression of CD34 and CD45. We found that GDNF protein expression in ADSCs was elevated after Lenti‐GDNF transfection. In GDNF‐ADSCs‐APG cultures, GDNF was increasingly produced while tissue growth factor‐β was reduced as incubation time was increased. ADSC proliferation was augmented and neuronal nuclei (NeuN) and glial fibrillary acidic protein (GFAP) expression were upregulated in GDNF‐ADSCs‐APG. In addition, limb motor function and nerve axon growth were improved after GDNF‐ADSCs‐APG treatment. In conclusion, our study demonstrates the combined effect of ADSCs and APG in peripheral nerve regeneration and may lead to treatments that benefit patients with electrical injuries.
Knockdown of FOXJ1 inhibits the proliferation, migration, invasion, and glycolysis in laryngeal squamous cell carcinoma cells
Authors: Liu Lifeng , Zhang Pengfei , Shao Yuan , Quan Fang , Li Huajing
Published: May 2019

Forkhead box (FOX) proteins are a large family of transcription factors that are involved in multiple biological processes. FOXJ1, a member of the FOX family, has been found to participate in tumorigenesis. However, the role of FOXJ1 in laryngeal squamous cell carcinoma (LSCC) is still unclear. The aim of the present study was to explore the potential roles of FOXJ1 in LSCC. Our results showed that FOXJ1 was overexpressed in LSCC tissues and cell lines. Then the small interfering RNA targeting FOXJ1 (FOXJ1‐siRNA) or control siRNA was transfected into TU‐177 and AMC‐HN‐8 cells to knockdown FOXJ1. Cell Counting Kit‐8 assay showed that knockdown of FOXJ1 inhibited the proliferation of LSCC cells. Transwell assay revealed that FOXJ1‐siRNA‐transfected cells showed significant reduction in cell migration and invasion compared to the cells transfected with control siRNA. FOXJ1 knockdown suppressed glycolysis in LSCC cells, which was illustrated by the reduced glucose consumption and lactate production. In addition, FOXJ1 knockdown inhibited the activation of the Wnt/β‐catenin pathway, and the LiCl treatment mitigated the inhibitory effects of FOXJ1‐siRNA on cell proliferation, migration, invasion, and glycolysis. These findings indicated that FOXJ1‐siRNA executed its functions via suppressing the activation of the Wnt/β‐catenin pathway.
QM/MM study of the taxadiene synthase mechanism
Authors: van Rijn Jeaphianne P. M. , Escorcia Andrés M. , Thiel Walter
Published: May 2019

Combined quantum mechanics/molecular mechanics (QM/MM) calculations were used to investigate the reaction mechanism of taxadiene synthase (TXS). TXS catalyzes the cyclization of geranylgeranyl diphosphate (GGPP) to taxadiene (T) and four minor cyclic products. All these products originate from the deprotonation of carbocation intermediates. The reaction profiles for the conversion of GGPP to T as well as to minor products were calculated for different configurations of relevant TXS carbocation complexes. The QM region was treated at the M06‐2X/TZVP level, while the CHARMM27 force field was used to describe the MM region. The QM/MM calculations suggest a reaction pathway for the conversion of GGPP to T, which slightly differs from previous proposals regarding the number of reaction steps and the conformation of the carbocations. The QM/MM results also indicate that the formation of minor products via water‐assisted deprotonation of the carbocations is highly exothermic, by about −7 to −23 kcal/mol. Curiously, however, the computed barriers and reaction energies indicate that the formation of some of the minor products is more facile than the formation of T. Thus, the present QM/MM calculations provide detailed insights into possible reaction pathways and into the origin of the promiscuity of TXS, but they do not reproduce the product distribution observed experimentally. © 2019 Wiley Periodicals, Inc.
Comment on “Theoretical Investigations on Geometrical and Electronic Structures of Silver Clusters”
Authors: Nhat Pham Vu , Si Nguyen Thanh , Nguyen Minh Tho
Published: May 2019

We would like to make a few comments on the results reported in a recent paper in this journal by Tsuneda, J. Comput. Chem, 2019, 40, 206. The structures of some pure silver clusters were not correctly assigned. © 2019 Wiley Periodicals, Inc.
Ab initio molecular dynamics simulations study on initial decompositions of β‐HMX at high temperature coupled with high pressures
Authors: Xiang Dong , Ji Guangfu , Zhu Weihua
Published: May 2019

We performed ab initio molecular dynamics simulations to investigate initial decomposition mechanisms and subsequent chemical processes of β‐HMX (cyclotetramethylene tetranitramine) (octahydro‐1,3,5,7‐tetranitro‐1,3,5,7‐tetrazocine) crystals at high temperature coupled with high pressures. It was found that the initial decomposition step is the simultaneous C–H and N–NO2 bond cleavage at 3,500 K. When the pressure (1–10 GPa) is applied, the first reaction steps are primarily the C–N and C–H bond fission at 3,500 K. The C–H bond cleavage is a triggering decomposition step of the HMX crystals at 3,500 K coupled with 16 GPa. This indicates that the C–H bonds are much easier to be broken and the hydrogen radicals are much more active. The applied pressures (1–10 GPa) accelerate the decompositions of HMX at 3,500 K. The decomposition pathways and time evolution of the main chemical species demonstrate that the temperature is the foremost factor that affects the decomposition at high pressures (1–10 GPa). However, the decomposition of HMX is dependent on both the temperature (3,500 K) and the pressure (16 GPa). This work will enrich the knowledge of the decompositions of condensed energetic materials under extreme conditions.
Biosensors for real‐time monitoring of physiological processes in the musculoskeletal system: A systematic review
Authors: Veronesi Francesca , Tschon Matilde , Visani Andrea , Fini Milena
Published: May 2019

Biosensors are composed of (bio)receptors, transducers, and detection systems and are able to convert the biological stimulus into a measurable signal.

This systematic review evaluates the current state of the art of innovation and research in this field, identifying the biosensors that in vitro monitor the musculoskeletal system cellular processes.

Two databases found 20 in vitro studies, from January 1, 2008 to December 31, 2017, dealing with musculoskeletal system cells. The biosensors were divided into two groups based on the transduction mechanism: optical or electrochemical.

The first group evaluated osteoblasts or mesenchymal stem cell (MSC) biocompatibility, viability, differentiation, alkaline phosphatase, enzyme, and protein detection. The second group detected cell impedance, ATP release, and superoxide concentration in tenocytes, osteoblasts, MSCs, and myoblasts.

This review highlighted that the in vitro scenario is still at an early phase and limited for what concerns both the type of bioanalyte and for the type of system detector used.
Safer health care environments by design
Authors: Clark Tom , Sine David
Published: May 2019

Health care environments can and are being designed to prevent injury, minimize human error, and actually promote improved health and safety. This article shows risk managers how evidence‐based design is reducing medication error, staff injury, infection rates, patient falls, and more. Research knowledge can contribute to effective design solutions by simply clarifying a safety problem so solutions can be sought; it can inform the design process with potential solutions; or it can be part of a structured process where new research knowledge is created. This article shares specific examples of the types of research that can inform designing for a safer physical environment. A case study shows how one project in two phases benefited from engaging initially in a general way and later, in a highly structured process, to integrate the evidence to improve design for safety.
Data analysis to modeling to building theory in NK cell biology and beyond: How can computational modeling contribute?
Authors: Das Jayajit , Lanier Lewis L
Published: May 2019

The use of mathematical and computational tools in investigating Natural Killer (NK) cell biology and in general the immune system has increased steadily in the last few decades. However, unlike the physical sciences, there is a persistent ambivalence, which however is increasingly diminishing, in the biology community toward appreciating the utility of quantitative tools in addressing questions of biological importance. We survey some of the recent developments in the application of quantitative approaches for investigating different problems in NK cell biology and evaluate opportunities and challenges of using quantitative methods in providing biological insights in NK cell biology.
Value of gadoxetic acid‐enhanced MRI and diffusion‐weighted imaging in the differentiation of hypervascular hyperplastic nodule from small (<3 cm) hypervascular hepatocellular carcinoma in patients with alcoholic liver cirrhosis: A retrospective case–control study
Authors: Kim Seung Soo , Kim Seong Hyun , Song Kyoung Doo , Choi Seo‐Youn , Heo Nam Hun
Published: May 2019

Background

Hypervascular hyperplastic nodules (HHNs) occasionally develop in patients with alcoholic liver cirrhosis (ALC) and show arterial enhancement, thus mimicking hepatocellular carcinoma (HCC). Importantly, HHN as a benign lesion should be distinguished from HCC.

Purpose

To evaluate the value of gadoxetic acid‐enhanced MRI (Gd‐EOB‐MRI) and diffusion‐weighted imaging (DWI) in distinguishing HHN from small (<3 cm) hypervascular HCC (hHCC) in patients with ALC.

Study Type

Retrospective case–control study.

Field Strength/Sequence

3.0T/in‐ and out‐of‐phase, T1‐weighted, T2‐weighted, diffusion‐weighted, apparent diffusion coefficient, and dynamic gadoxetic acid‐enhanced images.

Population

Among 560 patients with ALC who underwent Gd‐EOB‐MRI and DWI, 12 patients with 28 HHNs and 22 patients with 29 hHCCs smaller than 3 cm were included.

Assessment

The following MRI features were evaluated by three independent radiologists: signal intensity (SI) on T1‐weighted, T2‐weighted, diffusion‐weighted, and hepatobiliary phase (HBP) images; shape, homogeneity, and margin on HBP; diffusion restriction; intralesional fat; necrosis; hemorrhage; washout on portal venous phase (PVP) and/or transitional phase (TP); and capsular enhancement. Quantitative analysis was also conducted.

Statistical Tests

Univariate and multivariate analyses were performed to determine the significant MRI findings, and their diagnostic performance for the prediction of HHN was analyzed.

Results

Lesion size of ≤16 mm (odds ratio [OR], 24.41;P= 0.007), low‐to‐iso SI on DWI (OR, 26.92;P= 0.007), and absence of washout on PVP and/or TP (OR, 31.84;P= 0.009) were significant independent factors for predicting HHN. When all three criteria were satisfied, the specificity was 100%. Compared with hHCCs, HHNs showed significantly smaller size (mean, 13.8 mm vs. 19.9 mm;P< 0.001) and higher mean SI value (994.0 vs. 669.5) and lesion‐to‐liver SI ratio (1.045 vs. 0.806) on HBP (P< 0.001, respectively).

Data Conclusion

Gd‐EOB‐MRI and DWI may be helpful in differentiating HHN from small hHCC in patients with ALC.

Level of Evidence:3

Technical Efficacy Stage:2 J. Magn. Reson. Imaging 2020;51:70–80.
Reliability of Quantitative Assessment of Distal Radioulnar Joint Stability With Force‐Monitor Ultrasonography
Authors: Yuine Hiroshi , Yoshii Yuichi , Tung Wen‐lin , Ishii Tomoo , Shiraishi Hideki
Published: May 2019

The purpose of this study was to evaluate the reliability of ultrasound assessment of the displacement–force relationships for distal radioulnar joint (DRUJ) stability. Non‐dominant wrists of 10 healthy male subjects were evaluated by force‐monitor ultrasonography. This apparatus was developed to apply cyclic compression to the wrist with pre‐determined transducer displacement conditions in the range of 0.1–3.0 mm. The subject's wrist was placed on the table with the forearm in the pronated position. The transducer was placed on the dorsal surface of the distal radius and ulna, perpendicular to the long axis of the forearm. The center of the ulnar head was at the DRUJ level. The distance between the dorsal surface of the distal radius and the ulnar head was measured at an initial and a pressed‐down position. Changes in radioulnar displacement, force to the wrist and the displacement/force ratio were evaluated. The measurements were performed independently by two raters. The intra‐class correlation coefficients (ICCs) for the radioulnar displacement were 0.76, 0.68, and 0.93, in the 1.0, 2.0, and 3.0 mm transducer displacement conditions, respectively. The ICCs for the force to the wrist were 0.18, 0.67, and 0.34, in different transducer displacement conditions, respectively. The ICCs for the displacement/force ratios were 0.68, 0.67, and 0.97, in different transducer displacement conditions, respectively. The highest ICC for the radioulnar displacement and the displacement/force ratio was observed in the 3.0 mm displacement condition. This assessment of displacement–force relationships may be useful to quantify DRUJ stability. © 2019 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 37:2053–2060, 2019
Dissipation studies of famoxadone in vegetables under greenhouse conditions using liquid chromatography coupled to high‐resolution mass spectrometry: putative elucidation of a new metabolite
Authors: López‐Ruiz Rosalía , Romero‐González Roberto , Ortega‐Carrasco Elisabeth , Garrido Frenich Antonia
Published: May 2019

BACKGROUND

Famoxadone is a pesticide that is used to control fungal diseases and its dissipation in vegetables should be monitored. For that purpose, liquid chromatography coupled to mass spectrometry has been used.

RESULTS

The dissipation of famoxadone has been monitored in cucumber, cherry tomato and courgette under greenhouse conditions at different doses (single and double), using ultra high‐performance liquid chromatography coupled to Orbitrap mass spectrometry (Thermo Fisher Scientific, Bremen, Germany). The concentration of famoxadone increased slightly just after the application of the commercial product and then decreased. The half‐lives (DT50) of famoxadone are different for each matrix, ranging from 2 days (courgette single dose) to 10 days (cucumber double dose). The main metabolites, 4‐phenoxybenzoic acid and 1‐acetyl‐2‐phenylhydrazine, were not detected in vegetable samples. Other metabolites described by the European Food and Safety Authority, such as IN‐JS940 [(2RS)‐2‐hydroxy‐2‐(4‐phenoxyphenyl)propanoic acid], IN‐KF015 [(5RS)‐5‐methyl‐5‐(4‐phenoxyphenyl)‐1,3‐oxazolidine‐2,4‐dione] and IN‐MN467 [(5RS)‐5‐methyl‐3‐[(2‐nitrophenyl)amino]‐5‐(4‐phenoxyphenyl)‐1,3‐oxazolidine‐2,4‐dione], were detected in the three matrices. Untargeted analysis allowed for the putative elucidation of a new metabolite of famoxadone in cucumber (up to 290 μg kg−1) and cherry tomato (up to 900 μg kg−1) samples.

CONCLUSION

The dissipation of famoxadone has been investigated in three vegetables: tomato, cucumber and courgette. The persistence of famoxadone was low in the three matrices (DT50 less than 10 days). Metabolites of famoxadone were monitored, detecting IN‐JS940, IN‐MN467 and IN‐KF015, and the putative elucidation of a new metabolite of famoxadone was performed by applying software tools. © 2019 Society of Chemical Industry
Predicting effects of borderline personality symptoms and self‐concept and identity disturbances on internet addiction, depression, and suicidality in college students: A prospective study
Authors: Chen Ting‐Hsiang , Hsiao Ray C. , Liu Tai‐Ling , Yen Cheng‐Fang
Published: May 2019

The aims of this study were to evaluate the predicting effects of borderline personality symptoms and self‐concept and identity disturbances on internet addiction, significant depression, and suicidality among college students at follow‐up assessments conducted 1 year later. A sample of 500 college students aged between 20 and 30 years participated in this study. Their levels of borderline personality symptoms, self‐concept and identity disturbances, internet addiction, depression, and suicidality at baseline and at follow‐up interviews were assessed through the Borderline Symptoms List, Self‐concept and Identity Measure, Chen Internet Addiction Scale, Beck Depression Inventory‐II, and questions related to suicidality from the Epidemiological version of the Kiddie Schedule for Affective Disorders and Schizophrenia, respectively. A total of 324 college students received follow‐up assessments 1 year later. Among them, 15.4%, 27.5%, and 17% had internet addiction, significant depression, and suicidality, respectively. Our result revealed the severity of borderline symptoms, disturbed identity, unconsolidated identity, and lack of identity at initial assessment increased the occurrence of internet addiction, significant depression, and suicidality at follow‐up assessment except for the predictive effect of unconsolidated identity on internet addiction. The results indicated that self‐concept and identity and borderline symptoms may have a significant role in the risk of mental health problems in college students.
Aberrant localization of signaling proteins in skin cancer: Implications for treatment
Authors: Holmes Thomas R. , Dindu Shravya , Hansen Laura A.
Published: May 2019

Aberrant subcellular localization of signaling proteins can provide cancer cells with advantages such as resistance to apoptotic cell death, increased invasiveness and more rapid proliferation. Nuclear to cytoplasmic shifts in tumor‐promoting proteins can lead to worse patient outcomes, providing opportunities to target cancer‐specific processes. Herein, we review the significance of dysregulated protein localization with a focus on skin cancer. Altered localization of signaling proteins controlling cell cycle progression or cell death is a common feature of cancer. In some instances, aberrant subcellular localization results in an acquired prosurvival function. Taking advantage of this knowledge reveals novel targets useful in the development of cancer therapeutics.
Hypermobility, developmental coordination disorder and physical activity in an Irish paediatric population
Authors: Moore Nicola , Rand Sarah , Simmonds Jane
Published: May 2019

Objective

The primary aim of the study was to explore the prevalence of generalized joint hypermobility (GJH) and generalized hypermobility spectrum disorder (gHSD) using the new classification system in a community paediatric physiotherapy service in Ireland. The second aim was to explore the relationship between GJH, gHSD and physical activity level, while considering the association of probable developmental coordination disorder (pDCD).

Methods

A case‐controlled cross‐sectional study of children aged 6–12 years, recruited from the community paediatric physiotherapy department (n = 32) and a local school (n = 41), was carried out. A Beighton score of ≥6/9 distinguished GJH. The new framework for hypermobility spectrum disorder (HSD) was used. Self‐reported physical activity level was measured using the Physical Activity Questionnaire—Older Children. A parent‐reported validated questionnaire screened for pDCD.

Results

The prevalence of GJH was 21.9% of children attending physiotherapy. One child in the physiotherapy group was identified as having gHSD, with a prevalence of 3.1%. There was no significant difference in physical activity level between children with and without GJH attending physiotherapy (independent samples t‐test, p = 0.28). Probable developmental coordination disorder (pDCD) was observed in 71.9% of children attending physiotherapy. There was no significant difference in the number of children with pDCD in those with and without GJH (Fisher's exact test, p = 0.370).

Conclusions

This study was the first to explore the prevalence of GJH and gHSD in the paediatric physiotherapy population in Ireland. The presence of GJH did not affect self‐reported physical activity level or motor coordination in children attending physiotherapy.
Intramolecular Path Determination of Active Electrons on Push‐Pull Oligocarbazole Dyes‐Sensitized Solar Cells
Authors: Trabelsi Salma , Kouki Nouha , Seydou Mahamadou , Maurel François , Tangour Bahoueddine
Published: May 2019

Several push‐pull oligocarbazole dye‐sensitizers have been studied using theoretical methods in order to better understand the relationship between structural electronic or optical properties and intramolecular path of active electrons during the ionization and injection processes. DFT/TD‐DFT calculations were performed on a series of five dye sensitizers. They differ by the presence of electron donating group (EDG) by inductive effect (noted+I) or electron releasing group (ERG) by mesomeric effect (noted+M) or electron withdrawing group by inductive effect (noted‐I) on the pushed part of the dyes studied. Our work focused on the internal distribution of electrons in the different parts of dye that are the push/pull moieties and the π‐bridge. The study concerned the ground state, the electronic transition process and the excited state. In each situation, the fragment acting in the ionization or transition phenomena were identified. In the ground state, the electrons of the push part appear to be the least bound because they have the highest probabilities of ionization. In the excited state, the ionized atoms are essentially positioned in the pushing part and some neighboring atoms of the bridge. In the electronic transition, the active atoms are located in the π‐conjugated part but only on the side adjacent to the acceptor group. To arrive to this conclusion, we optimized the structures of the five dyes in their ground and excited states. We calculated the atomic charges, the wavelengths and intensities of electronic transitions in the visible domain, the reorganization energies as well as the oxidation potential. It appears that +M donor ligands improve the performance of a dye because the great distribution of atoms to be ionized in the push parts.
Block copolymer composition drives function of self‐assembled nanoparticles for delivery of small‐molecule cargo
Authors: Maikawa Caitlin L. , Sevit Alex , Lin Binhong , Wallstrom Rachel J. , Mann Joseph L. , Yu Anthony C. , Waymouth Robert M. , Appel Eric A.
Published: May 2019

Nanoparticles are useful for the delivery of small molecule therapeutics, increasing their solubility, in vivo residence time, and stability. Here, we used organocatalytic ring opening polymerization to produce amphiphilic block copolymers for the formation of nanoparticle drug carriers with enhanced stability, cargo encapsulation, and sustained delivery. These polymers comprised blocks of poly(ethylene glycol) (PEG), poly(valerolactone) (PVL), and poly(lactide) (PLA). Four particle chemistries were examined: (a) PEG‐PLA, (b) PEG‐PVL, (c) a physical mixture of PEG–PLA and PEG–PVL, and (d) PEG–PVL–PLA tri‐block copolymers. Nanoparticle stability was assessed at room temperature (20 °C; pH = 7), physiological temperature (37 °C; pH = 7), in acidic media (37 °C; pH = 2), and with a digestive enzyme (lipase; 37 °C; pH = 7.4). PVL‐based nanoparticles demonstrated the highest level of stability at room temperature, 37 °C and acidic conditions, but were rapidly degraded by lipase. Moreover, PVL‐based nanoparticles demonstrated good cargo encapsulation, but rapid release. In contrast, PLA‐based nanoparticles demonstrated poor stability and encapsulation, but sustained release. The PEG–PVL–PLA nanoparticles exhibited the best combination of stability, encapsulation, and release properties. Our results demonstrate the ability to tune nanoparticle properties by modifying the polymeric architecture and composition. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 1322–1332