bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sequence‐Dependent Stereodivergent Allylic Alkylation/Fluorination of Acyclic Ketones
Authors: Liu Xi‐Jia , Jin Shicheng , Zhang Wen‐Yun , Liu Qiang‐Qiang , Zheng Chao , You Shu‐Li 
Published: November 2019

AbstractThe stereodivergent iridium‐catalyzed allylic alkylation and fluorination of acyclic ketones is described. α‐Pyridyl‐α‐fluoroketones with vicinal tertiary and quaternary stereocenters were obtained in moderate to excellent yields and stereoselectivities. Distinct from known stereodivergent synthesis, for which two different chiral catalysts are required in general, herein we report a sequence‐dependent stereodivergent synthesis. With only a single chiral Ir catalyst, all four possible stereoisomers of the products were prepared from the same starting materials by simply adjusting the sequence of asymmetric allylic alkylation and fluorination and varying the absolute configuration of the Ir catalyst.
Oxodealkenylative Cleavage of Alkene C(sp3)−C(sp2) Bonds: A Practical Method for Introducing Carbonyls into Chiral Pool Materials
Authors: Smaligo Andrew J. , Wu Jason , Burton Nikolas R. , Hacker Allison S. , Shaikh Aslam C. , Quintana Jason C. , Wang Ruoxi , Xie Changmin , Kwon Ohyun 
Published: November 2019

AbstractReported herein is a one‐pot protocol for the oxodealkenylative introduction of carbonyl functionalities into terpenes and terpene‐derived compounds. This transformation proceeds by Criegee ozonolysis of an alkene, reductive cleavage of the resulting α‐alkoxy hydroperoxide, trapping of the generated alkyl radical with 2,2,6,6‐tetramethylpiperidin‐1‐yl (TEMPO), and subsequent oxidative fragmentation with MMPP. Using readily available starting materials from chiral pool, a variety of carbonyl‐containing products have been accessed rapidly in good yields.
Efficient removal of Congo red from pH‐unregulated aqueous solutions by lignosulfonate‐based polycatecholamine
Authors: Gao Song , Wei Gang , Liu Qiang , Liu Qinze , Gao Tingting , Yao Jinshui 
Published: November 2019

ABSTRACTLignosulfonate‐based polycatecholamine (PCEA‐LS) was synthesized by a two‐stage approach involving Mannich and catechol–amine reactions, and it was directly used to adsorb Congo red (CR) from the pH‐unadjusted aqueous solution. PCEA‐LS was characterized using scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT‐IR), thermogravimetric analysis (TGA), and X‐ray photoelectron spectroscopy (XPS). Various factors affecting on removal of CR by PCEA‐LS were investigated in depth, including contact time, adsorbent dosage, and initial concentration of CR and adsorption temperature. The adsorption kinetics, isotherm, and thermodynamics of PCEA‐LS for CR were explored in detail, and then its adsorption mechanism was systematically elucidated. Results indicated that the removal process of CR followed the pseudo‐second‐order kinetic model, and the isotherm data fitted the Langmuir model well. The maximum adsorption capacity reached 972.6 mg g−1 at 30°C in the pH‐unadjusted (pH = 6.25) solution possibly due to the hydrogen bond, π–π stacking, and electrostatic interaction between PCEA‐LS and CR. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48640.
Synthesis of a “Butterfly Cage” Based on a Double‐Decker Silsesquioxane
Authors: Kunthom Rungthip , Adachi Takuto , Liu Yujia , Takeda Nobuhiro , Unno Masafumi , Tanaka Ryoji 
Published: November 2019

AbstractNovel polyhedral structures were prepared with a butterfly‐shape composed of oligosiloxane wings and a double‐decker silsesquioxane (DDSQ) body. The compounds were synthesized in two steps from commercially available alkoxysilanes, and their structures were confirmed using spectroscopic methods and X‐ray crystallography. Not like other phenyl‐substituted cage silsesquioxanes, these butterfly cages show very good solubility in common organic solvents. The crystal structures clearly showed their unique features: a larger space with longer siloxane chains and a very flexible framework. Moreover, these compounds are thermally stable with a Td5 (5 % weight loss temperature) over 320 °C.
Multi‐Cation Coordination in Porphyrinoids
Authors: Stawski Wojciech , Kijewska Monika , Pawlicki Miłosz 
Published: November 2019

AbstractPorphyrinoid macrocycles are unbreakably linked with the coordination of central cations that drastically influence the observed behavior. A specific place has been recorded for structures where more than one cation is entrapped in a single macrocycle. It has been a characteristic feature of expanded porphyrinoids where the increased coordination space allows a multiple coordination. Because of specific steric confinements, an incorporation of more than one cation within regular or contracted porphyrinoids is more demanding but it can be realized on several ways significantly modifying the observed behavior. We will discuss synthetic strategies leading to structures with increased number of cations and the influence on the observed behavior of such modification.
Synthesis of Tofisopam by Way of Photoinduced CO2 Fixation
Authors: Masuda Yusuke , Makita Katsuhiko , Ishida Naoki , Murakami Masahiro 
Published: November 2019

AbstractHerein reported is a unique synthetic route of Tofisopam, an anxiolytic drug containing a 2,3‐benzodiazepine core structure. 3,4‐Dimethoxypropylbenzene and 3,4‐dimethoxybenzoic acid, which are both of plant origin, and CO2 constitute its carbon skeleton. These three renewable substances are united by two C−C bond forming reactions, i.e., a Friedel–Crafts acylation reaction and a photoinduced carboxylation reaction to construct the major carbon framework. Finally, a methyl group is introduced by a Kumada‐type cross‐coupling reaction to furnish Tofisopam. Various analogs of Tofisopam are readily synthesized by introducing other substituents than a methyl group at the last C−C bond forming step.
A utility approach to individualized optimal dose selection using biomarkers
Authors: Li Pin , Taylor Jeremy M.G. , Kong Spring , Jolly Shruti , Schipper Matthew J. 
Published: November 2019

AbstractIn many settings, including oncology, increasing the dose of treatment results in both increased efficacy and toxicity. With the increasing availability of validated biomarkers and prediction models, there is the potential for individualized dosing based on patient specific factors. We consider the setting where there is an existing dataset of patients treated with heterogenous doses and including binary efficacy and toxicity outcomes and patient factors such as clinical features and biomarkers. The goal is to analyze the data to estimate an optimal dose for each (future) patient based on their clinical features and biomarkers. We propose an optimal individualized dose finding rule by maximizing utility functions for individual patients while limiting the rate of toxicity. The utility is defined as a weighted combination of efficacy and toxicity probabilities. This approach maximizes overall efficacy at a prespecified constraint on overall toxicity. We model the binary efficacy and toxicity outcomes using logistic regression with dose, biomarkers and dose–biomarker interactions. To incorporate the large number of potential parameters, we use the LASSO method. We additionally constrain the dose effect to be non‐negative for both efficacy and toxicity for all patients. Simulation studies show that the utility approach combined with any of the modeling methods can improve efficacy without increasing toxicity relative to fixed dosing. The proposed methods are illustrated using a dataset of patients with lung cancer treated with radiation therapy.
Enhancing Energy Storage Devices with Biomacromolecules in Hybrid Electrodes
Authors: Ajjan Fatima Nadia , Mecerreyes David , Inganäs Olle 
Published: November 2019

AbstractThe development of energy storage devices with higher energy and power outputs, and long cycling stability is urgently required in the pursuit of the expanding challenges of electrical energy storage. The utilization of biologically renewable redox compounds holds a great potential in designing sustainable energy storage systems and contributes in reducing the dependence on fossil fuels for energy materials. Quinones are the principal redox centers in natural organic materials and play a key role as charge storage electrode materials because of their abundance, multiple forms and integration into the materials flow through the biosphere. Electrical energy storage devices and systems can be significantly improved by the combination of scalable quinone‐based biomaterials with good electronic conductors. This review uses recent examples to show how biopolymers are providing new directions in the development of renewable biohybrid electrodes for energy storage devices.
Rice lectin receptor‐like kinase provides salinity tolerance by ion homeostasis
Authors: Passricha Nishat , Saifi Shabnam K. , Kharb Pushpa , Tuteja Narendra 
Published: November 2019

AbstractSensing stress and activating the downstream signaling pathways is the imperative step for stress response. Lectin receptor‐like kinase (LecRLK) is an important family that plays a key role in sensing stress conditions through lectin receptor and activates downstream signaling by kinase domain. We identified the role of OsLecRLK gene for salinity stress tolerance and hypothesized its role in Na+ extrusion from cell. OsLecRLK overexpression and downregulation (through artificial miRNA) transgenic lines were developed and its comparison with wild‐type (WT) plants were performed overexpression transgenic lines showed better performance, whereas downregulation showed poor performance than WT. Lower accumulation of reactive oxygen species (ROS), malondialdehyde and toxic ion, and a higher level of proline, RWC, ROS scavengers in overexpression lines lead us to the above conclusion. Based on the relative expression of stress‐responsive genes, ionic content and interactome protein, working model highlights the role of OsLecRLK in the extrusion of Na+ ion from the cell. This extrusion is facilitated by a higher expression of salt overly sensitive 1 (Na+/K+ channel) in overexpression transgenic line. Altered expression of stress‐responsive genes and changed biochemical and physiological properties of cell suggests an extensive reprogramming of the stress‐responsive metabolic pathways by OsLecRLK under stress condition, which could be responsible for the salt tolerance capability.
Trainee performance in radical gastrectomy and its effect on outcomes
Authors: Navidi M. , Madhavan A. , Griffin S. M. , Prasad P. , Immanuel A. , Hayes N. , Phillips A. W. 
Published: November 2019

Abstract

Background
This study aimed to determine whether trainee involvement in D2 gastrectomies was associated with adverse outcomes.

Methods
Data from a prospectively created database of consecutive patients undergoing open D2 total (TG) or subtotal (STG) gastrectomy with curative intent between January 2009 and January 2014 were reviewed. Short- and long-term clinical outcomes were compared in patients operated on by consultants and those treated by trainees under consultant supervision.

Results
A total of 272 D2 open gastrectomies were performed, 123 (45·2 per cent) by trainees. There was no significant difference between consultants and trainees in median duration of surgery (TG: 240 (range 102–505) versus 240 (170–375) min respectively, P = 0·452; STG: 225 (150–580) versus 212 (125–380) min, P = 0·192), number of resected nodes (TG: 30 (13–101) versus 30 (11–102), P = 0·681; STG: 26 (5–103) versus 25 (1–63), P = 0·171), length of hospital stay (TG: 15 (7–78) versus 15 (8–65) days, P = 0·981; STG: 10 (6–197) versus 14 (7–85) days, P = 0·242), overall morbidity (TG: 44 versus 49 per cent, P = 0·314; STG: 34 versus 25 per cent, P = 0·113) or mortality (TG: 4 versus 2 per cent; P = 0·293). No difference in predicted 5-year overall survival was noted between the two cohorts (TG: 68 per cent for consultants versus 77 per cent for trainees, P = 0·254; STG: 70 versus 75 per cent respectively, P = 0·512). The trainee cohort had lower median blood loss for both TG (360 (range 90–1200) ml versus 600 (70–2350) ml for consultants; P = 0·042) and STG (235 (50–1000) versus 360 (50–3000) ml respectively; P = 0·053).

Conclusion
Clinical outcomes were not compromised by supervised trainee involvement in D2 open gastrectomy.
Bio‐analytical methods for investigating the effect of age, body mass index and gender on the PK/PD ratio of antibiotics
Authors: ElKady Ehab F. , Abo‐Elwafa Ahmed A. , Farouk Faten 
Published: November 2019

AbstractThe effectiveness of antibiotics (ABs) is governed by achieving the adequate pharmacokinetic (PK)/pharmacodynamics (PD) ratio. In this study, fast LC–MS/MS methods were developed and validated for the bioanalysis of cefaclor (CFC), ciprofloxacin (CFC), roxithomycin (RXM) and clindamycin (CLD). Chromatographic separation was performed on a C18 Zorbax‐Eclipse Plus (3.5 μm, 100 × 4.6 mm) using isocratic elution. Detection was performed by positive electrospray ionization. The methods were applied for the assessment of PK parameters in volunteers (n = 101, 64 male and 37 female) and the effects of age, body mass index (BMI) and gender were investigated. Good linearity (r2 ≥ 0.99), accuracy (>86%), precision (CV% ≤ 11) and extraction recovery (>83%) were observed for CFC, CFX, RXM and CLD. Application to PK studies revealed that age and BMI affected the Thalf and the AUC of RXM and CLD (p < 0.023). Gender difference affected the critical PK parameters of the four ABs (Thalf (U = 18; P = 0.036) of CFC, the Cmax of CFX (U = 30; P = 0.017), the Thalf (U = 23; P = 0.009) and AUC (U = 26; P = 0.008) of RXM and CLD), respectively. These results highlight the significance of age and BMI variations for RXM and CLD dosing. Furthermore, it indicates that the gender difference may be considered when adjusting the AB dose.
Spectrum–effect relationship of antioxidant and anti‐inflammatory activities of Laportea bulbifera based on multivariate statistical analysis
Authors: Chen Yinrui , Zou Shuhan , Xu Wenfen , Sun Qingwen , Yun Li 
Published: November 2019

AbstractLaportea bulbifera, named Hong He Ma in Chinese, is a Chinese herbal medicine commonly used by the Miao nationality of China. In this study, 43 batches of L. bulbifera were collected from different origins in China. Ethanol, ethyl acetate and petroleum ether were used to prepare different extracts of the plant. UHPLC technique was used to establish the fingerprints, whereas DPPH assay and RAW264.7 inflammatory cell models were used to evaluate the antioxidant and anti‐inflammatory activities, respectively. Moreover, the spectrum–effect relationship between relative peak area of common peaks and efficacy value was set up by multivariate statistical analysis. Furthermore, 10 batches were selected randomly for validation of those models. The results showed that ethyl acetate and petroleum ether extracts possess excellent antioxidant and anti‐inflammatory activities, respectively. Peaks A6 and A7 demonstrated the greatest antioxidant activity, while peak A17 showed the strongest anti‐inflammatory activity. After a verified experiment, the result was obtained and illustrated that the spectrum–effect relationship which we established could reliably infer antioxidant and anti‐inflammatory compounds of the Chinese herbal medicine.
Comorbidity in trichotillomania (hair‐pulling disorder): A cluster analytical approach
Authors: Lochner Christine , Keuthen Nancy J. , Curley Erin E. , Tung Esther S. , Redden Sarah A. , Ricketts Emily J. , Bauer Christopher C. , Woods Douglas W. , Grant Jon E. , Stein Dan J. 
Published: November 2019

AbstractBackgroundA promising approach to reducing the phenotypic heterogeneity of psychiatric disorders involves the identification of homogeneous subtypes. Careful study of comorbidity in obsessive‐compulsive disorder (OCD) contributed to the identification of the DSM‐5 subtype of OCD with tics. Here we investigated one of the largest available cohorts of clinically diagnosed trichotillomania (TTM) to determine whether subtyping TTM based on comorbidity would help delineate clinically meaningful subgroups.MethodsAs part of an ongoing international collaboration, lifetime comorbidity data were collated from 304 adults with pathological hair‐pulling who fulfilled criteria for DSM‐IV‐TR or DSM‐5 TTM. Cluster analysis (Ward's method) based on comorbidities was undertaken.ResultsThree clusters were identified, namely Cluster 1: cases without any comorbidities (n = 63, 20.7%) labeled “simple TTM,” Cluster 2: cases with comorbid major depressive disorder only (N = 49, 16.12%) labeled “depressive TTM,” and Cluster 3: cases presenting with combinations of the investigated comorbidities (N = 192, 63.16%) labeled “complex TTM.” The clusters differed in terms of hair‐pulling severity (F = 3.75, p = .02; Kruskal–Wallis [KW] p < .01) and depression symptom severity (F = 5.07, p = <.01; KW p < .01), with cases with any comorbidity presenting with increased severity. Analysis of the temporal nature of these conditions in a subset suggested that TTM onset generally preceded major depressive disorder in (subsets of) Clusters 2 and 3.ConclusionsThe findings here are useful in emphasizing that while many TTM patients present without comorbidity, depression is present in a substantial proportion of cases. In clinical practice, it is crucial to assess comorbidity, given the links demonstrated here between comorbidity and symptom severity. Additional research is needed to replicate these findings and to determine whether cluster membership based on comorbidity predicts response to treatment.
White matter hypointensities and hyperintensities have equivalent correlations with age and CSF β‐amyloid in the nondemented elderly
Authors: Wei Ke , Tran Thao , Chu Karen , Borzage Matthew T. , Braskie Meredith N. , Harrington Michael G. , King Kevin S. 
Published: November 2019

AbstractIntroductionT1‐ and T2‐weighted sequences from MRI often provide useful complementary information about tissue properties. Leukoaraiosis results in signal abnormalities on T1‐weighted images, which are automatically quantified by FreeSurfer, but this marker is poorly characterized and is rarely used. We evaluated associations between white matter hyperintensity (WM‐hyper) volume from FLAIR and white matter hypointensity (WM‐hypo) volume from T1‐weighted images and compared their associations with age and cerebrospinal fluid (CSF) β‐amyloid and tau.MethodsA total of 56 nondemented participants (68–94 years) were recruited and gave informed consent. All participants went through MR imaging on a GE 1.5T scanner and of these 47 underwent lumbar puncture for CSF analysis. WM‐hypo was calculated using FreeSurfer analysis of T1 FSPGR 3D, and WM‐hyper was calculated with the Lesion Segmentation Toolbox in the SPM software package using T2‐FLAIR.ResultsWM‐hyper and WM‐hypo were strongly correlated (r = .81; parameter estimate (p.e.): 1.53 ± 0.15; p < .0001). Age was significantly associated with both WM‐hyper (r = .31, p.e. 0.078 ± 0.030, p = .013) and WM‐hypo (r = .42, p.e. 0.055 ± 0.015, p < .001). CSF β‐amyloid levels were predicted by WM‐hyper (r = .33, p.e. −0.11 ± 0.044, p = .013) and WM‐hypo (r = .42, p.e. −0.24 ± 0.073, p = .002). CSF tau levels were not correlated with either WM‐hyper (p = .9) or WM‐hypo (p = .99).ConclusionsStrong correlations between WM‐hyper and WM‐hypo, and similar associations with age, abnormal β‐amyloid, and tau suggest a general equivalence between these two imaging markers. Our work supports the equivalence of white matter hypointensity volumes derived from FreeSurfer for evaluating leukoaraiosis. This may have particular utility when T2‐FLAIR is low in quality or absent, enabling analysis of older imaging data sets.
Mining opinions from instructor evaluation reviews: A deep learning approach
Authors: Onan Aytuğ 
Published: November 2019

AbstractStudent evaluations of teaching (SET) provides potentially essential source of information to achieve educational quality objectives of higher educational institutions. The findings can be utilized as a measure of teaching effectiveness and they may aid the administrative decision‐making process. The purpose of our research is to establish an efficient sentiment classification scheme on instructor evaluation reviews by pursuing the paradigm of deep learning. Deep learning is a recent research direction of machine learning, which seeks to identify a classification scheme with higher predictive performance based on multiple layers of nonlinear information processing. In this study, we present a recurrent neural network (RNN) based model for opinion mining on instructor evaluation reviews. We analyze a corpus containing 154,000 such reviews, with the use of conventional machine learning algorithms, ensemble learning methods, and deep learning architectures. In the empirical analysis, three conventional text representation schemes (namely, term‐presence, term‐frequency [TF], and TF‐inverse document frequency schemes) and four word embedding schemes (namely, word2vec, global vector [GloVe], fastText, and LDA2Vec) have been taken into consideration. The predictive performance of supervised machine learning methods (such as, Naïve Bayes, support vector machines, logistic regression, K‐nearest neighbor, and random forest) and three ensemble learning methods have been examined on word embedding schemes. The extensive empirical analysis indicates that deep learning‐based architectures outperform the conventional machine learning classifiers for the task of sentiment classification on instructor reviews. For the RNN with attention mechanism in conjunction with GloVe word embedding scheme‐based representation a classification accuracy of 98.29% has been obtained.
Long non‐coding small nucleolar RNA host genes in digestive cancers
Authors: Yang Huan , Jiang Zheng , Wang Shuang , Zhao Yongbing , Song Xiaomei , Xiao Yufeng , Yang Shiming 
Published: November 2019

AbstractAlthough long noncoding RNAs (lncRNAs) do not have protein coding capacities, they are involved in the pathogenesis of many types of cancers, including hepatocellular carcinoma, cervical cancer, and gastric cancer. Notably, the roles of lncRNAs are vital in nearly every aspect of tumor biology. Long non‐coding small nucleolar RNA host genes (lnc‐SNHGs) are abnormally expressed in multiple cancers, including urologic neoplasms, respiratory tumors, and digestive cancers, and play vital roles in these cancers. These host genes could participate in tumorigenesis by regulating proliferation, migration, invasion and apoptosis of tumor cells. This review focuses on the overview of the roles that lnc‐SNHGs play in the formation and progression of digestive cancers.
How prisoners and their partners experience the maintenance of their relationship during a prison sentence
Authors: De Claire Karen , Dixon Louise , Larkin Michael 
Published: November 2019

AbstractResearch shows that intimate relationships, and their maintenance via prison visits, have a positive impact on factors associated with prisoner well‐being and reduced likelihood of recidivism. It is therefore in the interest of corrections, government, and wider society to enable prisoners to maintain healthy relationships with their family and intimate partners throughout their prison sentence. Despite this evidence, little is known about how prisoners experience the maintenance of a significant intimate relationship in prison. This study aims to explore heterosexual couples' experiences in maintaining their well‐established intimate relationships, while the male partner is incarcerated. Four main themes were identified: how they experienced “having a special connection” that they were motivated to maintain; “coping with challenges and threats” to that connection; “developing reciprocal behaviours” to meet those challenges; and “maintaining a belief in the future.” Implications for how the relational context of rehabilitation can best be supported is considered.