bluuebunny/crossref_metadata_2025 huggingface dataset:
Surgical outcomes in gastroenterological surgery in Japan: Report of National Clinical database 2011–2016
Authors: Kakeji Yoshihiro , Takahashi Arata , Udagawa Harushi , Unno Michiaki , Endo Itaru , Kunisaki Chikara , Taketomi Akinobu , Tangoku Akira , Masaki Tadahiko , Marubashi Shigeru , Yoshida Kazuhiro , Gotoh Mitsukazu , Konno Hiroyuki , Miyata Hiroaki , Seto Yasuyuki ,   National Clinical Database
Published: November 2017

The National Clinical Database (NCD) of Japan started its registration in 2011 and over 9 000 000 cases from more than 5000 facilities were registered over a 6‐year period. This is the report of NCD based upon gastrointestinal surgery information in excess of 3 200 000 cases from 2011 to 2016 adding data of complications. About 70% of all gastrointestinal surgeries were carried out at certified institutions, and the percentage of surgeries done at certified institutions was particularly high for the esophagus (92.4% in 2016), liver (88.4%), pancreas (89.8%), and spleen (86.8%). The percentage of anesthesiologist participation was more than 90% for almost all organs, except 85.7% for the rectum and anus. Approximately, more than two‐thirds of the surgeries were carried out with the participation of a board‐certified surgeon. Although patients have been getting older, mortalities have not been increasing. There were differences in the incidence of complications according to organ site and procedure. Remarkably, mortality rates of low anterior resection were very low, and those of hepatectomy and acute diffuse peritonitis surgery have been gradually decreasing. Although the complication rates were gradually increasing for esophagectomy or pancreaticoduodenectomy, the mortality rates for these procedures were decreasing. Nationwide, this database is expected to ensure the quality of the board‐certification system and surgical outcomes in gastroenterological surgery.
Photocatalytic Oxygen Evolution from Functional Triazine‐Based Polymers with Tunable Band Structures
Authors: Lan Zhi‐An , Fang Yuanxing , Zhang Yongfan , Wang Xinchen
Published: November 2017

Conjugated polymers (CPs) are emerging and appealing light harvesters for photocatalytic water splitting owing to their adjustable band gap and facile processing. Herein, we report an advanced mild synthesis of three conjugated triazine‐based polymers (CTPs) with different chain lengths by increasing the quantity of electron‐donating benzyl units in the backbone. Varying the chain length of the CTPs modulates their electronic, optical, and redox properties, resulting in an enhanced performance for photocatalytic oxygen evolution, which is the more challenging half‐reaction of water splitting owing to the sluggish reaction kinetics. Our results could stimulate interest in these functional polymers where a molecular engineering strategy enables the production of suitable semiconductor redox energetics for oxygenic photosynthesis.
Preparation and characterization of new nanocomposite polymer films containing NiO nanofillers
Authors: Çetinkaya Sevil , Sönmez Damla , Özker Taner
Published: November 2017

Nanocomposite solid polymer films based on the poly(exo‐N‐phenyl‐7‐oxanorbornene‐5,6‐dicarboximide) (PPhONDI)/LiClO4/NiO system have been designed, and the effect of inorganic NiO nanofiller in different amounts on the film properties has been examined. The exo‐PPhONDI/LiClO4/NiO polymer system is the first solid nanocomposite polymer electrolyte film example based on a ring‐opening metathesis polymerization (ROMP) host polymer. The NiO nanoparticles were prepared by two‐step chemical syntheses, and the thermoplastic host polymer, exo‐PPhONDI, was synthesized via ROMP. Composite polymer films were prepared by the solution‐casting method. The amount of nanoparticles was varied from 1 to 15 wt % of NiO. The conductivity of the nanocomposite solid polymer systems was influenced by the NiO nanofiller concentration. The composite films based on exo‐PPhONDI ROMP polymer with the highest conductivity were achieved for the composition with 8 wt % of NiO nanofiller and 10 wt % of LiClO4 dopant. The prepared films were characterized using X‐ray diffraction, Fourier transform infrared spectroscopy, differential scanning calorimetry, and scanning electron microscopy (SEM). The SEM results showed that the filler was well distributed in the polymer matrix. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45938.
Improving interpretations of topic modeling in microblogs
Authors: Alkhodair Sarah A. , Fung Benjamin C. M. , Rahman Osmud , Hung Patrick C. K.
Published: November 2017

Topic models were proposed to detect the underlying semantic structure of large collections of text documents to facilitate the process of browsing and accessing documents with similar ideas and topics. Applying topic models to short text documents to extract meaningful topics is challenging. The problem becomes even more complicated when dealing with short and noisy micro‐posts in Twitter that are about one general topic. In such a case, the goal of applying topic models is to extract subtopics. This results in topics represented by similar sets of keywords, which in turn makes the process of topic interpretation more confusing. In this paper we propose a new method that incorporates Twitter‐LDA, WordNet, and hashtags to enhance the keyword labels that represent each topic. We emphasize the importance of different keywords to different topics based on the semantic relationships and the co‐occurrences of keywords in hashtags. We also propose a method to find the best number of topics to represent the text document collection. Experiments on two real‐life Twitter datasets on fashion suggest that our method performs better than the original Twitter‐LDA in terms of perplexity, topic coherence, and the quality of keywords for topic labeling.
Are you satisfied yet? Shared leadership, individual trust, autonomy, and satisfaction in virtual teams
Authors: Robert Lionel P. , You Sangseok
Published: November 2017

Despite the benefits associated with virtual teams, many people on these teams are unsatisfied with their experience. The goal of this study was to determine how to better facilitate satisfaction through shared leadership, individual trust, and autonomy. Specifically, in this study we sought a better understanding of the effects of shared leadership, team members’ trust, and autonomy on satisfaction. We conducted a study with 163 individuals in 44 virtual teams. The results indicate that shared leadership facilitates satisfaction in virtual teams both directly and indirectly through the promotion of trust. Shared leadership moderated the relationships of individual trust and individual autonomy with satisfaction. Team‐level satisfaction was a strong predictor of virtual team performance. We discuss these findings and the implications for theory and design.
Simple Organic Salts Having a Naphthalenediimide (NDI) Core Display Multifunctional Properties: Gelation, Anticancer and Semiconducting Properties
Authors: Parveen Rumana , Maity Nabasmita , Dastidar Parthasarathi
Published: November 2017

Following a supramolecular synthon rationale, a dicarboxylic acid derivative having a naphthalenediimide (NDI) core, namely, bis‐N‐carboxymethyl naphthalenediimide (NDI‐G), was reacted with n‐alkyl amines with varying alkyl chain lengths to generate a new series of primary ammonium dicarboxylate (PAD) salts. The majority of the salts (≈85 %) were found to gel various polar solvents. The gels were characterized by dynamic rheology and high‐resolution electron microscopy. Single‐crystal and powder X‐ray diffraction analyses were used to study the supramolecular synthon present in one of the gelator salts (i.e., S8). Charge‐transfer (CT)‐induced gelation with donor molecules such as anthracene methanol (Ant) and pyrene (Py) was also possible with S8. The CT complex (S8.Ant) displayed anticancer activity as probed by cell migration assay on the highly aggresive breast cancer cell line MDA‐MB‐231. The DMSO gel of S8.Ant also displayed semiconducting behavior. To the best of our knowledge, simple organic salts with an NDI core that display such mulitifunctional properties are hitherto unknown.
Resveratrol, pterostilbene, and dementia
Authors: Lange Klaus W. , Li Shiming
Published: November 2017

Resveratrol is a natural phytoestrogen with neuroprotective properties. Polyphenolic compounds including resveratrol exert in vitro antioxidant, anti‐inflammatory, and antiamyloid effects. Resveratrol and its derivative pterostilbene are able to cross the blood‐brain barrier and to influence brain activity. The present short review summarizes the available evidence regarding the effects of these polyphenols on pathology and cognition in animal models and human subjects with dementia. Numerous investigations in cellular and mammalian models have associated resveratrol and pterostilbene with protection against dementia syndromes such as Alzheimer's disease (AD) and vascular dementia. The neuroprotective activity of resveratrol and pterostilbene demonstrated in in vitro and in vivo studies suggests a promising role for these compounds in the prevention and treatment of dementia. In comparison to resveratrol, pterostilbene appears to be more effective in combatting brain changes associated with aging. This may be attributed to the more lipophilic nature of pterostilbene with its two methoxyl groups compared with the two hydroxyl groups of resveratrol. The findings of available intervention trials of resveratrol in individuals with mild cognitive impairment or AD do not provide evidence of neuroprotective or therapeutic effects. Future clinical trials should be conducted with long‐term exposure to preparations of resveratrol and pterostilbene with high bioavailability. © 2017 BioFactors, 44(1):83–90, 2018
Demonstrating Improved Multiple Transport‐Mean‐Free‐Path Imaging Capabilities of Light Sheet Microscopy in the Quantification of Fluorescence Dynamics
Authors: Rieckher Matthias , Psycharakis Stylianos E. , Ancora Daniele , Liapis Evangelos , Zacharopoulos Athanasios , Ripoll Jorge , Tavernarakis Nektarios , Zacharakis Giannis
Published: November 2017

Optical microscopy constitutes, one of the most fundamental paradigms for the understanding of complex biological mechanisms in the whole‐organism and live‐tissue context. Novel imaging techniques such as light sheet fluorescence microscopy (LSFM) and optical projection tomography (OPT) combined with phase‐retrieval algorithms (PRT) can produce highly resolved 3D images in multiple transport‐mean‐free‐path scales. Our study aims to exemplify the microscopic capabilities of LSFM when imaging protein dynamics in Caenorhabditis elegans and the distribution of necrotic cells in cancer cell spheroids. To this end, we apply LSFM to quantify the spatio‐temporal localization of the GFP‐tagged aging and stress response factor DAF‐16/FOXO in transgenic C. elegans. Our analysis reveals a linear nuclear localization of DAF‐16::GFP across tissues in response to heat stress, using a system that outperforms confocal scanning fluorescent microscopy in imaging speed, 3D resolution and reduced photo‐toxicity. Furthermore, we present how PRT can improve the depth‐to‐resolution‐ratio when applied to image the far‐red fluorescent dye DRAQ7 which stains dead cells in a T47D cancer cell spheroid recorded with a customized OPT/LSFM system. Our studies demonstrate that LSFM combined with our novel approaches enables higher resolution and more accurate 3D quantification than previously applied technologies, proving its advance as new gold standard for fluorescence microscopy.
Analysing and Navigating Natural Products Space for Generating Small, Diverse, But Representative Chemical Libraries
Authors: O’Hagan Steve , Kell Douglas B.
Published: November 2017

Armed with the digital availability of two natural products libraries, amounting to some 195 885 molecular entities, we ask the question of how we can best sample from them to maximize their “representativeness” in smaller and more usable libraries of 96, 384, 1152, and 1920 molecules. The term “representativeness” is intended to include diversity, but for numerical reasons (and the likelihood of being able to perform a QSAR) it is necessary to focus on areas of chemical space that are more highly populated. Encoding chemical structures as fingerprints using the RDKit “patterned” algorithm, we first assess the granularity of the natural products space using a simple clustering algorithm, showing that there are major regions of “denseness” but also a great many very sparsely populated areas. We then apply a “hybrid” hierarchical K‐means clustering algorithm to the data to produce more statistically robust clusters from which representative and appropriate numbers of samples may be chosen. There is necessarily again a trade‐off between cluster size and cluster number, but within these constraints, libraries containing 384 or 1152 molecules can be found that come from clusters that represent some 18 and 30% of the whole chemical space, with cluster sizes of, respectively, 50 and 27 or above, just about sufficient to perform a QSAR. By using the online availability of molecules via the Molport system (www.molport.com), we are also able to construct (and, for the first time, provide the contents of) a small virtual library of available molecules that provided effective coverage of the chemical space described. Consistent with this, the average molecular similarities of the contents of the libraries developed is considerably smaller than is that of the original libraries. The suggested libraries may have use in molecular or phenotypic screening, including for determining possible transporter substrates.
Probing the activity of a recombinant Zn2+‐transporting P‐type ATPase
Authors: Ravishankar H. , Barth A. , Andersson M.
Published: November 2017

P‐type ATPase proteins maintain cellular homeostasis and uphold critical concentration gradients by ATP‐driven ion transport across biological membranes. Characterization of single‐cycle dynamics by time‐resolved X‐ray scattering techniques in solution could resolve structural intermediates not amendable to for example crystallization or cryo‐electron microscopy sample preparation. To pave way for such time‐resolved experiments, we used biochemical activity measurements, Attenuated Total Reflectance (ATR) and time‐dependent Fourier‐Transform Infra‐Red (FTIR) spectroscopy to identify optimal conditions for activating a Zn2+‐transporting Type‐I ATPase from Shigella sonnei (ssZntA) at high protein concentration using caged ATP. The highest total activity was observed at a protein concentration of 25 mg/mL, at 310 K, pH 7, and required the presence of 20% (v/v) glycerol as stabilizing agent. Neither the presence of caged ATP nor increasing lipid‐to‐protein ratio affected the hydrolysis activity significantly. This work also paves way for characterization of recombinant metal‐transporting (Type‐I) ATPase mutants with medical relevance.
Patient satisfaction with information on oral anticancer agent use
Authors: Boons Christel C. L. M. , Timmers Lonneke , van Schoor Natasja M. , Swart Eleonora L. , Hendrikse N. Harry , Janssen Jeroen J. W. M. , Hugtenburg Jacqueline G.
Published: November 2017

Adequate information on oral anticancer agent (OACA) use is an essential element of optimal cancer care. The present study aimed to get insight into the experiences of patients with information on OACA treatment and their characteristics regarding information dissatisfaction. Patients of four Dutch university hospitals using OACA participated in this observational study and completed the Satisfaction with Information about Medicines Scale (SIMS), EORTC Quality of Life Questionnaire‐C30, Brief Illness Perception Questionnaire, and Beliefs about Medicines Questionnaire‐Specific. Logistic regression analyses were used to determine factors associated with dissatisfaction with information. Patients (n = 208) using capecitabine (35%), lenalidomide (15%), imatinib (14%), temozolomide (12%), sunitinib (11%), thalidomide (5%), dasatinib (4%), erlotinib (2%), and nilotinib (2%) participated. Information on the following SIMS‐items was inadequate: how OACA elicit their effect, how long it takes before treatment works, how to conclude that treatment is effective, the risk of side effects and its management, interference with sex life, drowsiness, interference with other medication and alcohol and what to do in case of a missed dose. Younger age, hematological malignancy, dyspnoea, positive perception of consequences of the cancer, low perception of treatment control, and indifferent attitude towards OACA were associated with dissatisfaction with information. In conclusion, a considerable number of patients would have appreciated receiving more information on specific issues relating to the consequences of OACA treatment such as the effects and side effects of OACA and the interference of treatment with various aspects of their daily life. Oncologists, hematologists, lung‐oncologists and pharmacists may reconsider the provision of information on OACA treatment.
Prognostic value of PD‐L1 expression in combination with CD8+TILs density in patients with surgically resected non‐small cell lung cancer
Authors: Yang Hui , Shi Jinpeng , Lin Dongmei , Li Xuefei , Zhao Chao , Wang Qi , Zhang Limin , Jiang Tao , Zhao Sha , Liu Xiaozhen , Jia Yijun , Zhang Yajun , Cai Weijing , Zhou Caicun
Published: November 2017

To investigate the prognostic value of PD‐L1 expression combined with CD8+ TILs density in patients with resected NSCLC and correlations with clinicopathological features. We retrospectively enrolled 178 patients with resected NSCLC from 2011 to 2015. All surgical primary and 58 matched metastatic lymph node specimens were tested for PD‐L1, CD8+ TILs, and oncogenic alterations. PD‐L1+ was detected in 71 (39.9%) and CD8high TILs in 74 (41.6%) cases. Smoking, SqCC, and EGFR− were associated with both PD‐L1+ and CD8high TILs. Patients with CD8high TILs had longer OS (P = 0.012). PD‐L1− was significantly associated with longer OS in patients with oncogenic alterations (P = 0.047). By multivariate analysis, CD8high TILs (HR = 0.411; 95% CI, 0.177–0.954; P = 0.038), rather than PD‐L1, was the independent predictive factor for OS. The longest and shortest OS were achieved in patients with PD‐L1+/CD8high and PD‐L1+/CD8low, respectively (P = 0.025). Inconsistent PD‐L1 expression levels were observed in 23 of 58 (39.7%) patients with primary and matched metastatic lymph node specimens. Of them, CD8high TILs was significantly associated with longer OS in patients with metastatic lymph nodes and/or consistent PD‐L1 expression (P = 0.017 and 0.049, respectively). The combination of PD‐L1 and CD8+ TILs density, instead of PD‐L1 alone, suggested impressive prognostic values in NSCLC patients. Less than half of patients with resected NSCLC experienced inconsistent PD‐L1 expression between primary and metastatic lesions. The level of PD‐L1 expression in advanced NSCLC needs to be evaluated more comprehensively.
Cancer‐testis gene PIWIL1 promotes cell proliferation, migration, and invasion in lung adenocarcinoma
Authors: Xie Kaipeng , Zhang Kai , Kong Jing , Wang Cheng , Gu Yayun , Liang Cheng , Jiang Tingting , Qin Na , Liu Jibin , Guo Xuejiang , Huo Ran , Liu Mingxi , Ma Hongxia , Dai Juncheng , Hu Zhibin
Published: November 2017

Piwi‐like RNA‐mediated gene silencing 1 (PIWIL1) has been identified as a novel extremely highly expressed cancer‐testis (CT) gene in lung adenocarcinoma. However, the exact function and mechanism of PIWIL1 in lung adenocarcinoma remains unclear. Herein, we sought to investigate the role of PIWIL1 in the occurrence and development of lung adenocarcinoma. We examined the expression pattern of PIWIL1 in The Cancer Genome Atlas (TCGA) lung adenocarcinoma samples, and validated it by Real‐Time PCR (RT‐PCR) in additional 21 paired lung adenocarcinoma tissues and 16 normal tissues. Subsequently, we explored the biological function of PIWIL1 in A549 and H1299 cell lines by gain and loss‐of‐function analyses. Using TCGA lung adenocarcinoma data, we further performed coexpression and Gene Ontology (GO) analyses, and analyzed the association of DNA methylation levels in PIWIL1 promoter region with its expression. Finally, we evaluated its expression in different mutation status of significantly mutated genes (SMGs) in TCGA lung adenocarcinoma data. We observed that PIWIL1 was expressed in testis and lung adenocarcinoma but not in other normal tissues, and its high expression was associated with shortened survival of lung cancer patients. Overexpression of PIWIL1 could facilitate the proliferation, invasion and migration of lung adenocarcinoma cells and vice versa. GO analysis revealed that PIWIL1 upregulated genes were enriched in embryonic development, cell proliferation and regulation of transcription. Moreover, promoter DNA hypomethylation of PIWIL1 could contribute to its aberrant expression in tumors. Interestingly, PIWIL1 expression was significantly higher in patients without hepatocyte growth factor (HGF) or serine/threonine kinase 11 (STK11) mutation (P = 0.006 and 0.005, respectively). PIWIL1 is an epidriver gene in lung adenocarcinoma, indicating a potential target for further therapy.
A unique case of bilateral hydronephrosis caused by a fecalith
Authors: Kulkarni Archana , Kimoto Maryann , Morales Rafael , Kaura Amit
Published: November 2017

Key Clinical Message

This is a unique case that signifies the importance to look beyond the genitourinary system for causes of hydronephrosis. In addition, we outline the manner in which a fecalith should be addressed.
Successful elimination of premature ventricular contractions by ablation of origin and preferential pathway
Authors: Yazaki Kyoichiro , Enta Kenji , Watarai Masahiro , Kahata Mitsuru , Kumagai Asako , Inoue Koji , Koganei Hiroshi , Otsuka Masato , Ishii Yasuhiro
Published: November 2017

Key Clinical Message

However, the common strategy for eliminating premature ventricular contractions (PVCs) is to explore the exit site and ablate, which may be difficult in some cases. The origin and the preferential pathway, an insulated pathway connected to the exit, may also become targets for eliminating PVCs.
Copper Oxide−Cobalt Nanostructures/Reduced Graphene Oxide/Biomass‐Derived Macroporous Carbon for Glucose Sensing
Authors: Wang Li , Xu Lijuan , Zhang Yayun , Yang Han , Miao Longfei , Peng Canwei , Song Yonghai
Published: November 2017

A novel three‐dimensional kenaf‐stem‐derived macroporous carbon (3D‐KSC)/reduced graphene oxides (rGO) integrated electrode was constructed as a supporting matrix to deposit CuO−Co bimetallic nanostructures (CuO‐CoNSs) for electrochemical sensing of glucose. The rGO and CuO‐CoNSs were firmly grown on the channels of 3D‐KSC step‐by‐step to construct the CuO‐CoNSs/rGO/3D‐KSC integrated electrode. The obtained CuO‐CoNSs/rGO/3D‐KSC integrated electrode was carefully characterized with several techniques, such as SEM, Raman spectroscopy, FTIR, XRD, XPS, and electrochemistry. The results showed that lots of rGO covered the macropores of 3D‐KSC, which avoided the aggregation of rGO effectively and improved the utilization efficiency of 3D‐KSC. A large number of dendritic CuO‐CoNSs were subsequently grown in the macropores of the rGO/3D‐KSC integrated electrode. Owing to the hierarchical configuration, the CuO‐CoNSs/rGO/3D‐KSC integrated electrode showed superior performances for non‐enzymatic electrochemical glucose sensing with a suitable linear range (0.01–3.95 mM) and high sensitivity of 802.86 μA mM−1 cm−2. The result demonstrated that the electrode was suitable for detecting glucose in bodily fluids. The rGO/3D‐KSC might also be applied to load other NSs or enzymes for electrochemical sensing.
Organocatalyzed Decarboxylative Trichloromethylation of Morita–Baylis–Hillman Adducts in Batch and Continuous Flow
Authors: Enevoldsen Martin V. , Overgaard Jacob , Pedersen Maja S. , Lindhardt Anders T.
Published: November 2017

Two protocols for the organocatalyzed decarboxylative trichloromethylation of Morita–Baylis–Hillman (MBH) substrates have been developed. Applying sodium trichloroacetate, as the trichloromethyl anion precursor, in combination with an organocatalyst and acetylated MBH‐alcohols, the desired trichloromethylated products were obtained in good yields at room temperature in batch. The method was next extrapolated into a two‐step continuous flow protocol, starting directly from the MBH alcohols, in combination with tributylamine acting both as base and catalyst. The flow process proved superior to the batch approach, reducing the reaction time from 16 hours to only 20 minutes, with increased yields for all investigated entries. Two examples were also taken to scale‐up in flow producing more than 10 grams of both trichloromethylated targets. Finally, substitution of the organocatalyst to (DHQ)2PHAL or (DHQD)2PHAL induced chiral transfer to the generated stereocenter in the reaction attaining selectivities with nearly 90 % ee.
In Situ Generated Ruthenium–Arene Catalyst for Photoactivated Ring‐Opening Metathesis Polymerization through Photolatent N‐Heterocyclic Carbene Ligand
Authors: Pinaud Julien , Trinh Thi Kim Hoang , Sauvanier David , Placet Emeline , Songsee Sriprapai , Lacroix‐Desmazes Patrick , Becht Jean‐Michel , Tarablsi Bassam , Lalevée Jacques , Pichavant Loïc , Héroguez Valérie , Chemtob Abraham
Published: November 2017

1,3‐Bis(mesityl)imidazolium tetraphenylborate (IMesH+ BPh4−) can be synthesized in one step by anion metathesis between the corresponding imidazolium chloride and sodium tetraphenylborate. In the presence of 2‐isopropylthioxanthone (sensitizer), an IMes N‐heterocyclic carbene (NHC) ligand can be photogenerated under irradiation at 365 nm through coupled electron/proton transfer reactions. By combining this tandem NHC photogenerator system with metathesis inactive [RuCl2(p‐cymene)]2 precatalyst, the highly active RuCl2(p‐cymene)(IMes) complex can be formed in situ, enabling a complete ring‐opening metathesis polymerization (ROMP) of norbornene in the matter of minutes at room temperature. To the best of our knowledge, this is the first example of a photogenerated NHC. Its exploitation in photoROMP has resulted in a simplified process compared to current photocatalysts, because only stable commercial or easily synthesized reagents are required.
Validation of X‐ray Wavefunction Refinement
Authors: Woińska Magdalena , Jayatilaka Dylan , Dittrich Birger , Flaig Ralf , Luger Peter , Woźniak Krzysztof , Dominiak Paulina M. , Grabowsky Simon
Published: November 2017

In this work, the quality of the electron density in crystals reconstructed by the multipolar model (MM) and by X‐ray wavefunction refinement (XWR) is tested on a set of high‐resolution X‐ray diffraction data sets of four amino acids and six tripeptides. It results in the first thorough validation of XWR. Agreement statistics, figures of merit, residual‐ and deformation‐density maps, as well as atomic displacement parameters are used to measure the quality of the reconstruction relative to the measured structure factors. Topological analysis of the reconstructed density is carried out to obtain atomic and bond‐topological properties, which are subsequently compared to the values derived from benchmarking periodic DFT geometry optimizations. XWR is simultaneously in better agreement than the MM with both benchmarking theory and the measured diffraction pattern. In particular, the obvious problems with the description of polar bonds in the MM are significantly reduced by using XWR. Similarly, modeling of electron density in the vicinity of hydrogen atoms with XWR is visibly improved.
What psychologists need to know about psychotropic medications
Authors: Tomba Elena , Guidi Jenny , Fava Giovanni A.
Published: November 2017

Despite the fact that today most of the patients with psychological disturbances assume some form of psychotropic drug treatment, clinical psychologists may have little familiarity with psychopharmacology and are substantially unaware of subtle and yet pervasive potential effects of medications in clinical presentations. In their training, psychologists are generally exposed, at best, to some general principles of drug action. Standard psychopharmacology textbooks tend to omit the subtle psychological changes that may occur during psychotropic drug treatment.

Clinical pharmacopsychology consists of the application of clinical psychology to the full understanding of pharmacological effects. The domains of clinical pharmacopsychology encompass the clinical benefits of psychotropic drugs, the characteristics that predict responsiveness to treatment, the vulnerabilities induced by treatment (side effects, behavioural toxicity, iatrogenic comorbidity), and the interactions between drug treatment and psychological variables.

The DSM‐5 refers to a patient population that no longer exists: subjects who display various manifestations of psychological distress who do not receive any form of drug treatment for it.

Any type of psychotropic drug treatment, particularly after long‐term use, may increase the risk of experiencing additional psychopathological problems that do not necessarily subside with discontinuation of the drug. The changes may be persistent and not limited to a short phase, such as in the case of withdrawal reactions, and cannot be subsumed under the generic rubrics of adverse events or side effects.
The relationship between perceived organisational threat and compassion for others: Implications for the NHS
Authors: Henshall Lauren Elizabeth , Alexander Tim , Molyneux Philip , Gardiner Eric , McLellan Ashleigh
Published: November 2017

The National Health Service (NHS) is known to be a challenging place to work, with financial and performance targets placing increasing pressure on the organisation. This study aimed to investigate whether these pressures and threats might be detrimental to the quality of care and the compassion that the NHS strives to deliver. Quantitative data were collected via self‐report questionnaires from healthcare professionals across 3 NHS trusts in England in order to measure Self‐compassion; Compassion for Others; Perceived Organisational Threat; and Perceived Organisational Compassion. Qualitative data were also collected to explore the threats considered most pertinent to healthcare professionals at present. The key findings suggest that an increase in Perceived Organisational Threat may reduce an individual's ability to give compassion to others; however, Self‐compassion and Perceived Organisational Compassion were better predictors of Compassion for Others. This highlights the need to consider compassion at a systemic level, providing interventions and training not only to cultivate self‐compassion in healthcare professionals, but also to encourage compassion across the NHS more generally. In promoting self‐compassion and increasing the level of compassion that employees feel they receive at work, healthcare professionals may be better able to maintain or improve their level of compassion for service users and colleagues.
CXCR2 is critical for bacterial control and development of joint damage and pain in Staphylococcus aureus‐induced septic arthritis in mouse
Authors: Boff Daiane , Oliveira Vivian L. S. , Queiroz Junior Celso M. , Silva Tarcília A. , Allegretti Marcelo , Verri Waldiceu A. , Proost Paul , Teixeira Mauro M. , Amaral Flavio A.
Published: November 2017

Staphylococcus aureus is the main pathogen associated with septic arthritis. Upon infection, neutrophils are quickly recruited to the joint by different chemoattractants, especially CXCR1/2 binding chemokines. Although their excessive accumulation is associated with intense pain and permanent articular damage, neutrophils have an important function in controlling bacterial burden. This work aimed to study the role of CXCR2 in the control of infection, hypernociception and tissue damage in S. aureus‐induced septic arthritis in mice. The kinetics of neutrophil recruitment correlated with the bacterial load recovered from inflamed joint after intra‐articular injection of S. aureus. Treatment of mice from the start of infection with the non‐competitive antagonist of CXCR1/2, DF2156A, reduced neutrophil accumulation, cytokine production in the tissue, joint hypernociception and articular damage. However, early DF2156A treatment increased the bacterial load locally. CXCR2 was important for neutrophil activation and clearance of bacteria in vitro and in vivo. Start of treatment with DF2156A 3 days after infection prevented increase in bacterial load and reduced the hypernociception in the following days, but did not improve tissue damage. In conclusion, treatment with DF2156A seems be effective in controlling tissue inflammation and dysfunction but its effects are highly dependent on the timing of the treatment start.
Room Temperature Ni0/PCy3‐Catalyzed Coupling Reactions of Aryl Arenesulfonates with Bis(pinacolato)diboron
Authors: Dong Jie , Guo Hui , Hu Qiao‐Sheng
Published: November 2017

Room temperature Ni0/PCy3‐catalyzed cross‐coupling reactions of aryl arenesulfonates with bis(pinacolato)diboron are described. The Ni0/PCy3 catalysts, generated from Ni(COD)2 and PCy3, or air‐stable 4‐MeOC6H4NiII(PCy3)2OTs, were efficient catalyst systems for the Miyaura borylation reactions of a variety of aryl arenesulfonates with bis(pinacolato)diboron. The mild reaction condition, the easy availability of the catalysts and good yields make these reactions potentially useful in organic synthesis (Cy = cyclohexyl, COD = cyclooctadiene, OTs = tosyl).
Design and Synthesis of Building Blocks for PPII‐Helix Secondary‐Structure Mimetics: A Stereoselective Entry to 4‐Substituted 5‐Vinylprolines
Authors: Chiha Slim , Soicke Arne , Barone Matthias , Müller Matthias , Bruns Judith , Opitz Robert , Neudörfl Jörg‐Martin , Kühne Ronald , Schmalz Hans‐Günther
Published: November 2017

In the course of our studies towards the synthesis of proline‐based secondary‐structure mimetics, we developed a straightforward methodology for the diastereoselective preparation of 4‐alkyl‐5‐vinyl‐substituted proline derivatives. Starting from N‐Boc‐protected tert‐butyl pyroglutamate, α‐alkylation, lactam reduction and acid‐catalyzed methanolysis afforded 4‐alkyl‐5‐methoxyproline derivatives. After BF3‐induced formation of an N‐acyl‐iminium intermediate, the introduction of the 5‐vinyl side chain was achieved with high diastereoselectivity by using vinylmagnesium bromide in the presence of AlCl3 or CuBr·SMe2 to afford either the cis‐ or the trans‐product, respectively. The utility of the method was demonstrated in the rapid and efficient construction of new diproline mimetics rigidified in a polyproline‐type II helix (PPII) conformation.
Phytochemical profiling of anti‐inflammatory Lavandula extracts via RP–HPLC–DAD–QTOF–MS and –MS/MS: Assessment of their qualitative and quantitative differences
Authors: Contreras María del Mar , Algieri Francesca , Rodriguez‐Nogales Alba , Gálvez Julio , Segura‐Carretero Antonio
Published: November 2017

As for other aromatic plants, there are many analytical methods for the determination of volatile compounds in lavender essential oils. Alternatively, in this study RP–HPLC–DAD–QTOF–MS was used for the profiling of the phytochemical constituents of hydromethanolic extracts of L. stoechas and L. dentata, which were obtained by pressurized liquid extraction. The spectrometric data revealed complex profiles constituted of a wide range of polar and semi‐polar phytochemicals, mainly, phenolic compounds (68). Most phenolic compounds (55) have not been previously reported in Lavandula; such is the case of caffeic acid‐based oligomers. Moreover, the analytical method was validated for the determination of phenolic compounds. Our findings showed both qualitative and quantitative differences between the extracts. In this sense, while hydroxycinnamic acids made up the largest class in both extracts, flavones were the most abundant class, accounting for 10.44 g (L. dentata) and 4.85 g (L. stoechas) per 100 g of dry extract. In conclusion, this analytical method provided essential information about the phytochemical composition of the studied medicinal plants, revealing novel constituents that were probably hidden for others. In addition, these results may help to understand the anti‐inflammatory properties of these extracts.
Excimer‐Based On‐Off Bis(pyreneamide) Macrocyclic Chemosensors
Authors: Vishe Mahesh , Lathion Timothée , Pascal Simon , Yushchenko Oleksandr , Homberg Alexandre , Brun Elodie , Vauthey Eric , Piguet Claude , Lacour Jérôme
Published: November 2017

A series of bis(pyreneamide) macrocycles, synthesized in two steps from THF, THP, oxepane and 1,4‐dioxane, are tested as chemosensors for a large range of mono‐, di‐ and trivalent cations. In their native states, these macrocycles exhibit a strong excimer fluorescence that is quenched upon the addition of the metal ions (alkaline, alkaline earth, p‐, d‐, and f‐block metals). UV‐Vis spectrophotometric titrations, cyclic voltammetry, excimer fluorescence quenching, and transient absorption spectroscopy experiments helped characterize the On‐Off changes occurring upon binding and demonstrate that the highest stability constants are obtained with divalent cations Ca2+ and Ba2+ specifically.
Environmental levels of avian antigen are relevant to the progression of chronic hypersensitivity pneumonitis during antigen avoidance
Authors: Sema Manabu , Miyazaki Yasunari , Tsutsui Toshiharu , Tomita Makoto , Eishi Yoshinobu , Inase Naohiko
Published: November 2017

Background

In chronic hypersensitivity pneumonitis (chronic HP), antigen avoidance is critical for disease management; however, complete avoidance is difficult because of unrecognized exposure to antigens. Recently, we revealed that the amount of avian antigen (AAA) in household dust at the time of diagnosis predicted the progression of chronic bird‐related HP. The purpose of this study is to evaluate the relationship between the prognosis of chronic bird‐related HP and the AAA that remained in the environment during antigen avoidance.

Methods

First, we measured the AAA in household dust of 28 consecutive patients (22 with chronic bird‐related HP and 6 with acute bird‐related HP) and 12 healthy volunteers. Second, we measured the AAA and collected questionnaires on the environmental conditions of the homes of 53 patients with various lung diseases, including bird‐related HP, to investigate the environmental parameters related to a higher AAA. Finally, we prospectively recruited 14 consecutive patients with chronic bird‐related HP, measured the AAA periodically, and collected clinical data.

Results

The AAA was higher in patients with chronic bird‐related HP at the time of diagnosis compared to healthy volunteers and was highest in patients with acute bird‐related HP. Logistic regression analysis showed that birds frequenting a residence was the only significant factor for a higher AAA (odds ratio, 5.686; 95%CI, 1.263–25.59; P = 0.024). There was a correlation between the mean AAA and decline of vital capacity for 1 year (r = −0.55; 95%CI −0.84 to −0.01; P = 0.043).

Conclusion

Measurements of the AAA after diagnosis predict the progression of chronic bird‐related HP. Avian antigen can exist in the indoor environment regardless of antigen avoidance. The presence of avian antigen in the indoor environment can be attributed to wild birds found outdoors.
Adipokines and inflammation markers and risk of differentiated thyroid carcinoma: The EPIC study
Authors: Dossus Laure , Franceschi Silvia , Biessy Carine , Navionis Anne‐Sophie , Travis Ruth C. , Weiderpass Elisabete , Scalbert Augustin , Romieu Isabelle , Tjønneland Anne , Olsen Anja , Overvad Kim , Boutron‐Ruault Marie‐Christine , Bonnet Fabrice , Fournier Agnès , Fortner Renee T. , Kaaks Rudolf , Aleksandrova Krasimira , Trichopoulou Antonia , La Vecchia Carlo , Peppa Eleni , Tumino Rosario , Panico Salvatore , Palli Domenico , Agnoli Claudia , Vineis Paolo , Bueno‐de‐Mesquita H. B(as) , Peeters Petra H. , Skeie Guri , Zamora‐Ros Raul , Chirlaque María‐Dolores , Ardanaz Eva , Sánchez Maria‐Jose , Ramón Quirós Jose , Dorronsoro Miren , Sandström Maria , Nilsson Lena Maria , Schmidt Julie A. , Khaw Kay‐Tee , Tsilidis Konstantinos K. , Aune Dagfinn , Riboli Elio , Rinaldi Sabina
Published: November 2017

Other than the influence of ionizing radiation and benign thyroid disease, little is known about the risk factors for differentiated thyroid cancer (TC) which is an increasing common cancer worldwide. Consistent evidence shows that body mass is positively associated with TC risk. As excess weight is a state of chronic inflammation, we investigated the relationship between concentrations of leptin, adiponectin, C‐reactive protein, interleukin (IL)‐6, IL‐10 and tumor necrosis factor (TNF)‐α and the risk of TC. A case‐control study was nested within the European Prospective Investigation into Cancer and Nutrition (EPIC) study and included 475 first primary incident TC cases (399 women and 76 men) and 1,016 matched cancer‐free cohort participants. Biomarkers were measured in serum samples using validated and highly sensitive commercially available immunoassays. Odds ratios (ORs) of TC by levels of each biomarker were estimated using conditional logistic regression models, adjusting for BMI and alcohol consumption. Adiponectin was inversely associated with TC risk among women (ORT3vs.T1 = 0.69, 95% CI: 0.49–0.98, Ptrend = 0.04) but not among men (ORT3vs.T1 = 1.36, 95% CI: 0.67–2.76, Ptrend = 0.37). Increasing levels of IL‐10 were positively associated with TC risk in both genders and significantly so in women (ORT3vs.T1 = 1.59, 95% CI: 1.13–2.25, Ptrend = 0.01) but not in men (ORT3vs.T1 = 1.78, 95% CI: 0.80–3.98, Ptrend = 0.17). Leptin, CRP, IL‐6 and TNF‐α were not associated with TC risk in either gender. These results indicate a positive association of TC risk with IL‐10 and a negative association with adiponectin that is probably restricted to women. Inflammation may play a role in TC in combination with or independently of excess weight.
Tumor characteristics and prognosis in women with pregnancy‐associated breast cancer
Authors: Johansson Anna L.V. , Andersson Therese M.‐L. , Hsieh Chung‐Cheng , Jirström Karin , Cnattingius Sven , Fredriksson Irma , Dickman Paul W. , Lambe Mats
Published: November 2017

There is evidence of poor prognosis in women with pregnancy‐associated breast cancer (PABC) diagnosed during pregnancy or within 2 years of delivery. Using a large, population‐based cohort, we examined clinicopathologic features and survival in women with PABC. A cohort of women diagnosed with invasive breast cancer between 1992 and 2009 at ages 15–44 years was identified in the Swedish Cancer Register and the Breast Cancer Quality Registers. Dates of childbirths for each woman were retrieved from the Swedish Multi‐Generation Register. Age‐standardized distributions of tumor stage (tumor size, nodal status, metastasis), Elston grade and ER/PR/HER2 status were compared between nulliparous women and women with breast cancer during pregnancy and up to 10 years postdelivery. Adjusted hazard ratios for all‐cause mortality rates among patients were estimated using Cox regression. We identified 1,661 nulliparous women with breast cancer, 778 women with PABC (97 during pregnancy, 270 within first and 411 within second year postdelivery) and 3,598 during 2–10 years postdelivery. Compared to nulliparous women, women with PABC, and especially women diagnosed 0–12 months after delivery, had more advanced T and N stage, and higher proportions of ER/PR negative, HER2 positive and triple‐negative tumors. Increased hazard ratios were observed in women diagnosed within 5 years of delivery after adjustment for age, year, education and region. Following additional adjustment for tumor characteristics, the hazard ratios were attenuated and nonsignificant. The poorer prognosis observed in women with PABC appears to be largely explained by more adverse tumor characteristics at diagnosis.
Clinical value of peripheral blood microRNA detection in evaluation of SOX regimen as neoadjuvant chemotherapy for gastric cancer
Authors: Tan Bibo , Li Yong , Di Yan , Fan Liqiao , Zhao Qun , Liu Qingwei , Wang Dong , Jia Nan
Published: November 2017

Background

Neoadjuvant chemotherapy has been widely applied in treating advanced gastric cancer (GC). However, little research has been conducted on evaluating the effect of neoadjuvant chemotherapy. Purpose of this study was to evaluate the effect of SOX regimen as neoadjuvant chemotherapy by detecting some microRNAs.

Methods

Total 120 GC patients who had received neoadjuvant chemotherapy (SOX regimen) were recruited with 100 healthy participants as control contemporarily. Age and gender have no significant difference in both groups (P > .05). The effect of chemotherapy was evaluated by the results of CT scan and surgery. Also, adverse effects of chemotherapy were documented. Peripheral blood of GC patients was collected twice: one day before chemotherapy and surgery, respectively, whereas healthy controls’ peripheral blood was collected once. Quantitative real‐time PCR (qPCR) was utilized to detect expression of miR‐145, miR‐185, miR‐381, and miR‐195 of peripheral blood in both groups.

Results

One hundred and twenty patients with advanced GC completed a total of 386 cycles of neoadjuvant chemotherapy with effective rate at 84.17% (101 of 120). Expression of miR‐145, miR‐185, and miR‐381 of patients with GC was lower than that in the control group before chemotherapy commence (all P < .05), while the expressions of miR‐145 and miR‐185 elevated noticeably in CG patients after neoadjuvant chemotherapy (P < .05). The differences in the expression of miR‐145 and miR‐185 in advanced GC patients with different chemotherapy outcomes were detected.

Conclusion

Patients with GC at advanced stages had aberrant miRs expressions. Detection of miR‐145 and miR‐185 expression may assist to predict effectiveness and adverse effects of SOX regimen as neoadjuvant chemotherapy.
A meta‐analysis of the relationship between rational beliefs and psychological distress
Authors: Oltean Horea‐Radu , David Daniel Ovidiu
Published: November 2017

Objective

 Rational emotive behavior therapy (REBT) model of psychological health assumes that rational beliefs cause functional emotions and adaptive behavior, but the presumed role of rational beliefs as protective factor against psychological distress/disorders is still in debate. An important step in validating an evidence‐based therapy is to investigate the underling theoretical assumptions. Thus, the aim of the present meta‐analysis is to investigate the direction and magnitude of the relationship between rational beliefs and psychological distress.

Method

 Our search identified 26 studies that met our criteria. We evaluated the effect size using the random‐effects model and we tested the moderator role of several variables.

Results

The overall results revealed a medium negative association between rational beliefs and psychological distress, r = −0.31. The strongest association was found for unconditional acceptance beliefs (r = −0.41).

Conclusion

The results add empirical evidence for the underling theory of REBT and revealed that the strength of the association between rational beliefs and distress is robust for a wide range of emotional problems. Therefore, rational beliefs could be a trans‐diagnostic protective factor against distress. Moreover, results emphasized that rational beliefs type is an important factor, suggesting an increased focus in therapy on the developing of unconditional acceptance and self‐acceptance beliefs.
Casting the net broader to confirm our imaginations: the long road to treating wasting disorders
Authors: von Haehling Stephan
Published: November 2017

Wasting embraces muscle and tissue wasting in sarcopenia and cachexia. This article describes recent advances in the field published in the Journal of Cachexia, Sarcopenia and Muscle concerning diagnostic tools, biomarker development, pathophysiology, and treatment. Studies discussed herein embrace those on sarcopenia and cachexia in heart failure, chronic obstructive pulmonary disease, and cancer including also animal models.