bluuebunny/crossref_metadata_2025_split huggingface dataset:
“I Could Do It in My Own Time and When I Really Needed It”: Perceptions of Online Pain Coping Skills Training For People With Knee Osteoarthritis
Authors: Lawford Belinda J. , Hinman Rana S. , Nelligan Rachel K. , Keefe Francis , Rini Christine , Bennell Kim L. 
Published: October 2019

ObjectiveTo qualitatively explore the perceptions and experiences of people with knee osteoarthritis (OA) who used an online automated pain coping skills training program (PCST).MethodsThis was a descriptive qualitative study (based on interpretivist methodology) embedded within a randomized controlled trial. Individual semistructured interviews were conducted with 12 people with knee OA who had participated in an 8‐week automated online PCST program while also receiving exercise advice and support from a physical therapist via Skype. Interviews in this study focused specifically on the online PCST program, rather than the physical therapy component. Interviews were audiorecorded, transcribed verbatim, and thematically analyzed.ResultsFive themes arose: 1) easy to understand and follow (clearly explained, presented well), 2) better able to cope with pain (controlling pain, helping relax, pacing self, incorporating skills into exercise program), 3) anonymity and flexibility (no judgement by clinician, work at own pace, accessibility), 4) not always relatable or engaging (some techniques not useful, Americanization of the program, annoying character examples, time consuming and slow‐paced), and 5) support from clinician desirable (follow‐up from a clinician would be beneficial, worked in tandem with physical therapist–prescribed exercise, desire referral to the program by a trusted source).ConclusionPeople with knee OA had generally positive experiences using an online PCST program, suggesting that online PCST is a broadly acceptable and accessible way to help people with OA to manage their pain. User engagement may be enhanced by redesigning some aspects of the program and by provision of support from a clinician.
Psychometric Properties of the Pediatric Patient‐Reported Outcomes Measurement Information System Item Banks in a Dutch Clinical Sample of Children With Juvenile Idiopathic Arthritis
Authors: Luijten Michiel A. J. , Terwee Caroline B. , van Oers Hedy A. , Joosten Mala M. H. , van den Berg J. Merlijn , Schonenberg‐Meinema Dieneke , Dolman Koert M. , ten Cate Rebecca , Roorda Leo D. , Grootenhuis Martha A. , van Rossum Marion A. J. , Haverman Lotte 
Published: October 2019

ObjectiveTo assess the psychometric properties of 8 pediatric Patient‐Reported Outcomes Measurement Information System (PROMIS) item banks in a clinical sample of children with juvenile idiopathic arthritis (JIA).MethodsA total of 154 Dutch children (mean ± SD age 14.4 ± 3.0 years; range 8–18 years) with JIA completed 8 pediatric version 1.0 PROMIS item banks (anger, anxiety, depressive symptoms, fatigue, pain interference, peer relationships, physical function mobility, physical function upper extremity) twice and the Pediatric Quality of Life Inventory (PedsQL) and the Childhood Health Assessment Questionnaire (C‐HAQ) once. Structural validity of the item banks was assessed by fitting a graded response model (GRM) and inspecting GRM fit (comparative fit index [CFI], Tucker‐Lewis index [TLI], and root mean square error of approximation [RMSEA]) and item fit (S‐X2 statistic). Convergent validity (with PedsQL/C‐HAQ subdomains) and discriminative validity (active/inactive disease) were assessed. Reliability of the item banks, short forms, and computerized adaptive testing (CAT) was expressed as the SE of theta (SE[θ]). Test–retest reliability was assessed using intraclass correlation coefficients (ICCs) and smallest detectable change.ResultsAll item banks had sufficient overall GRM fit (CFI >0.95, TLI >0.95, RMSEA <0.08) and no item misfit (all S‐X2 P > 0.001). High correlations (>0.70) were found between most PROMIS T scores and hypothesized PedsQL/C‐HAQ (sub)domains. Mobility, pain interference, and upper extremity item banks were able to discriminate between patients with active and inactive disease. Regarding reliability, PROMIS item banks outperformed legacy instruments. Post hoc CAT simulations outperformed short forms. Test–retest reliability was strong (ICC >0.70) for all full‐length item banks and short forms, except for the peer relationships item bank.ConclusionThe pediatric PROMIS item banks displayed sufficient psychometric properties for Dutch children with JIA. PROMIS item banks are ready for use in clinical research and practice for children with JIA.
Validity Evidence for the Use of Automated Neuropsychologic Assessment Metrics As a Screening Tool for Cognitive Impairment in Systemic Lupus Erythematosus
Authors: Tayer‐Shifman Oshrat E. , Green Robin , Beaton Dorcas E. , Ruttan Lesley , Wither Joan E. , Tartaglia Maria Carmela , Kakvan Mahta , Lombardi Sabrina , Anderson Nicole , Su Jiandong , Bonilla Dennisse , Zandy Moe , Choi May Y. , Fritzler Marvin J. , Touma Zahi 
Published: October 2019

ObjectiveScreening for cognitive impairment in systemic lupus erythematosus (SLE) conventionally relies on the American College of Rheumatology (ACR) neuropsychologic battery (NB), which is not universally available. To develop a more accessible screening approach, we assessed validity of the Automated Neuropsychological Assessment Metrics (ANAM). Using the ACR NB as the gold standard for cognitive impairment classification, the objectives were 1) to measure overall discriminative validity of the ANAM for cognitive impairment versus no cognitive impairment, 2) to identify ANAM subtests and scores that best differentiate patients with cognitive impairment from those with no cognitive impairment, and 3) to derive ANAM composite indices and cutoffs.MethodsA total of 211 consecutive adult patients, female and male, with SLE were administered the ANAM and ACR NB. 1) For overall discriminative validity of the ANAM, we compared patients with cognitive impairment versus those with no cognitive impairment on 4 scores. 2) Six ANAM models using different scores were developed, and the most discriminatory subtests were selected using logistic regression analyses. The area under the receiver operating characteristic curve (AUC) was calculated to establish ANAM validity against the ACR NB. 3) ANAM composite indices and cutoffs were derived for the best models, and sensitivities and specificities were calculated.ResultsPatients with no cognitive impairment performed better on most ANAM subtests, supporting ANAM’s discriminative validity. Cognitive impairment could be accurately identified by selected ANAM subtests with top models, demonstrating excellent AUCs of 81% and 84%. Derived composite indices and cutoffs demonstrated sensitivity of 78–80% and specificity of 70%.ConclusionThis study provides support for ANAM’s discriminative validity for cognitive impairment and utility for cognitive screening in adult SLE. Derived composite indices and cutoffs enhance clinical applicability.
β,β,β‐Trichloroethyl‐NH‐Enamine as Viable System for 5‐Endo‐trig Radical Cyclization via Multifaceted CuI−CuII Redox Catalysis: Single Step Synthesis of Multi‐Functionalized NH‐Pyrroles
Authors: Ram Ram N. , Sadanandan Sandhya , Kumar Gupta Dharmendra 
Published: October 2019

AbstractHere we report a mild and regioselective copper‐catalyzed direct synthesis of multi‐substituted and functionalized NH‐pyrroles in high yields from diverse β,β,β‐trichloroethyl‐NH‐enamines via a novel 5‐endo‐trig radical cyclization mode, previously known to be unviable in the enamine system. An approach to transform a geometrically ‘disfavored to favored’ 5‐endo‐trig radical cyclization mode in NH‐enamine systems via multifaceted CuI−CuII redox catalysis generating radicals, preventing dehalogenative reduction of radical precursors and dehydrohalogenating the 5‐endo‐trig cyclized products have been demonstrated experimentally. With wider substrate scope, this method incorporates halo‐, NH‐ and carbonyl functionalities besides alkyl, aryl and heteroaryl substituents in the pyrrole unit easily. These difficult to prepare 3‐halo‐NH‐pyrroles are potential sources for natural products, agrochemicals, pharmaceuticals and organometallic chemistry.magnified image
Advances in the Synthesis of Methylated Products through Indirect Approaches
Authors: Chen Yantao 
Published: October 2019

AbstractMethylation is a well‐known structural modification in organic and medicinal chemistry. In addition to using conventional methylation reagents for direct methylation, indirect methylation approaches have been also successfully applied, particularly to tackle the isolation difficulty among the methylated product, the unreacted starting material, and the dimethylated by‐product due to the structural similarities between them. This review summarizes recent advances in the synthesis of methylated products through indirect approaches – transforming functionalized intermediates into the methylated products. The indirect methodologies surveyed in this review are useful for chemists to select appropriate methylation strategies, particularly for the challenging synthesis of methylated products at a large scale in drug discovery.Abbreviations: AIBN: azobisisobutyronitrile; Cbz: carbobenzyloxy; DBU: 1,8‐diazabicyclo[5.4.0]undec‐7‐ene; DIBAL: diisobutylaluminium hydride; FA: formic acid; Fmoc: fluorenylmethyloxycarbonyl; KOTMS: potassium trimethylsilanolate; LAH: lithium aluminium hydride; LiHBEt3: lithium triethylborohydride; PC: photocatalyst; PMHS: polymethylhydrosiloxane; PSMS: zinc bis(phenylsulfonylmethanesulfinate); SAM: S‐adenosylmethionine; SET: single electron transfer; TBAF: tetra‐n‐butylammonium fluoride; TBS: tert‐butyldimethylsilyl; TEA: trimethylamine; TFA: trifluoroacetic acid; TMS: trimethylsilyl; Ts: 4‐toluenesulfonyl.magnified image
Decoupling Thermoelectric Performance and Stability in Liquid‐Like Thermoelectric Materials
Authors: Mao Tao , Qiu Pengfei , Hu Ping , Du Xiaolong , Zhao Kunpeng , Wei Tian‐Ran , Xiao Jie , Shi Xun , Chen Lidong 
Published: October 2019

AbstractLiquid‐like materials are one family of promising thermoelectric materials discovered in the past years due to their advantanges of ultrahigh thermoelectric figure of merit (zT), low cost, and environmental friendliness. However, their practial applications are greatly limited by the low service stability from the Cu/Ag metal deposition under large current and/or temperature gradient. Both high zT for high efficiency and large critical voltage for good stability are required for liquid‐like materials, but they are usually strongly correlated and hard to be tuned individually. Herein, based on the thermodynamic analysis, it is shown that such a correlation can be decoupled through doping immobile ions into the liquid‐like sublattice. Taking Cu2−δS as an example, doping immobile Fe ions in Cu1.90S scarcely degrades the initial large critical voltage, but significantly enhances the zT to 1.5 at 1000 K by tuning the carrier concentration to the optimal range. Combining the low‐cost and environmentally friendly features, these Fe‐doped Cu2−δS‐based compounds show great potential in civil applications. This study sheds light on the realization of both good stability and high performance for many other liquid‐like thermoelectric materials that have not been considered for real applications before.
Inverting the Triiodide Formation Reaction by the Synergy between Strong Electrolyte Solvation and Cathode Adsorption for Lithium–Oxygen Batteries
Authors: Zhang Xiao‐Ping , Li Yan‐Ni , Sun Yi‐Yang , Zhang Tao 
Published: October 2019

AbstractAn exceptionally strong solvation effect of dimethyl sulfoxide (DMSO) on I2 is identified by the largest shift observed so far of the I2 Raman peak with respect to I2 vapor and by elongated I−I bond lengths in first‐principles molecular‐dynamics simulations. This effect together with strong binding by an RuO2 surface to I2 is found to invert the direction of the reaction I−+I2⇌I3− to the left‐hand side. Inspired by this finding, we prepared a Li–O2 battery with the Li/DMSO+LiI/RuO2 structure. The synergic action of DMSO and RuO2 on I2 is found to suppress the shuttle effect of the redox mediator (RM) by anchoring I2 molecules, the oxidation product of the RM. Significantly enhanced stability is demonstrated over 100 cycles at charging voltage below 3.65 V.
Naked‐Eye Readout of Analyte‐Induced NIR Fluorescence Responses by an Initiation–Input–Transduction Nanoplatform
Authors: Zhang Dailiang , Wang Linlin , Yuan Xi , Gong Yijun , Liu Hongwen , Zhang Jing , Zhang Xiaobing , Liu Yanlan , Tan Weihong 
Published: October 2019

AbstractFluorescence visualization (FV) in the near‐infrared (NIR) window promises to break through the signal‐to‐background ratio (SBR) bottleneck of traditional visible‐light‐driven FV methods. However, straightforward NIR‐FV has not been realized, owing to the lack of methods to readily transduce NIR responses into instrument‐free, naked eye‐recognizable outputs. Now, an initiation–input–transduction platform comprising a well‐designed NIR fluorophore as the signal initiator and lanthanide‐doped nanocrystals as the transducer for facile NIR‐FV is presented. The analyte‐induced off–on NIR signal serves as a sensitizing switch of transducer visible luminescence for naked‐eye readout. The design is demonstrated for portable, quantitative detection of phosgene with significantly improved SBR and sensitivity. By further exploration of initiators, this strategy holds promise to create advanced NIR‐FV probes for broad sensing applications.
Biochemical characterization of an organic solvent‐tolerant glycosyltransferase from Bacillus licheniformis PI15 with potential application for raspberry ketone glycoside production
Authors: Li Bingfeng , Fan Bo , Fan Jingping , Chang Siyuan , Pan Xin , Wang Yinan , Wu Yaming , Song Junsong , He Xuejun 
Published: October 2019

AbstractRaspberry ketone is a primary aroma component of the red raspberry. The glycosylation of this compound is a potential approach used to improve its pharmaceutical properties. In this work, raspberry ketone glycosides are produced in bacteria for the first time. Bacillus licheniformis PI15, an organic solvent‐tolerant glycosyltransferase‐producing strain, was isolated from chemically polluted soil. The cloning and heterologous expression of a glycosyltransferase, which was designated PI‐GT1, in Escherichia coli BL21 resulted in the expression of an active and soluble protein that accounted for 15% of the total cell protein content. Purified PI‐GT1 was highly active and stable over a broad pH range (6.0–10.0) and showed excellent pH stability. PI‐GT1 maintained almost 60% of its maximal activity after 3 H of incubation at 20–40 °C and demonstrated optimal activity at 30 °C. Additionally, PI‐GT1 displayed high stability and activity in the presence of hydrophilic solvents with log P ≤ −0.2 and retained more than 80% of its activity after 3 H of treatment. Supplementation with 10% DMSO markedly improved the glycosylation of raspberry ketone, resulting in a value 26 times higher than that in aqueous solution. The organic solvent‐tolerant PI‐GT1 may have potential uses in industrial chemical and pharmaceutical synthesis applications.
A rapid and sensitive method for quantification of ibrutinib in rat plasma by UPLC–ESI–MS/MS: validation and application to pharmacokinetic studies of a novel ibrutinib nanocrystalline
Authors: Sun Shuangshuang , Cheng Dongfang , Kong Shumeng , Li Xiangping , Li Tongfang , Yu Qinglong , Wang Lin 
Published: October 2019

AbstractIbrutinib has an excellent effect in the treatment of mantle cell lymphoma so it has attracted much attention. A novel ibrutinib nanocrystalline was exploited in our study to improve the bioavailability. A fast and reliable UPLC–MS/MS method was established for the accurate quantification of ibrutinib in rat plasma. The chromatographic separation was achieved by an Agilent zorbax SB‐C18 rapid solution HD column (2.1 × 50 mm, 1.8 μm). The mobile phase consisted of deionized water (containing 10 mm ammonium acetate and 0.1% formic acid) and pure acetonitrile. Isocratic elution (water–acetonitrile 10:90, v/v) was adopted and the flow rate was 0.4 mL/min. Column temperature was set to 40°C. Vilazodone was used as the internal standard in this analytical method. Multiple reaction monitoring mode with positive electrospray ionization was selected to detect ibrutinib and vilazodone. Acetonitrile was used to precipitate protein to extract plasma samples. There was no endogenous interference for both ibrutinib and vilazodone and the linear range of this method was 1–2000 ng/mL. The recoveries were 98.4, 97.4 and 102.7% at low, medium and high concentrations. Accordingly, the matrix effect was 96.6, 111.1 and 99.6%. The pharmacokinetic difference between ibrutinib crude and a novel ibrutinib nanocrystalline in rats was investigated by this validated method successfully. The peak concentration and area under the concentration–time curve showed significant differences in gender and the bioavailability was improved after oral administration of ibrutinib nanocrystalline.
Development of an LC–MS/MS method for quantifying two main metabolites of abivertinib in human plasma
Authors: Zheng Xin , Wang Weicong , Zhang Yanbao , Ma Yuxiang , Zhao Hongyun , Gao Huitao , Hu Pei , Jiang Ji 
Published: October 2019

AbstractAbivertinib represents a highly selective irreversible epidermal growth factor receptor tyrosine kinase inhibitor. Two major metabolites of abivertinib, M7 and MII‐6, were detected in human plasma, which are recommended to be monitored for safety reasons in clinical trial. A high‐throughput quantification method utilizing liquid chromatography–tandem mass spectrometry was designed and verified to quantify abivertinib's primary metabolites in human plasma. Solid‐phase extraction was used to process the plasma, and then the analytes underwent a gradient elution separation in an Aquity UPLC BEH C18 column (1.7 μm, 2.1 × 50 mm) with mobile phase A (10 mm ammonium acetate containing 0.1% formic acid) and mobile phase B (methanol–acetonitrile, 2:8, v/v, with 0.1% formic acid). Ion transitions of M7 (m/z 490.2 → 405.1) and MII‐6 (m/z 476.2 → 391.1) were monitored under multiple reaction monitoring mode and electrospray ionization in positive ion mode. This simultaneous determination method was found to have acceptable precision, accuracy and linearity in the 0.5–500 ng/mL range for M7 and the 0.5–500 ng/mL range for MII‐6, accompanied by a mild matrix effect but high recovery. Further stability assessments indicated that both analytes remained stable throughout the entire experimental process from harvesting whole blood to plasma extraction and analysis.
Phytochemical identification of Lithocarpus polystachyus extracts by ultra‐high‐performance liquid chromatography–quadrupole time‐of‐flight–MS and their protein tyrosine phosphatase 1B and α‐glucosidase activities
Authors: Meng Ying , Ding Lin , Wang Yuan , Nie Qi‐ting , Xing Yang‐yang , Ren Qiang 
Published: October 2019

AbstractLithocarpus polystachyus leaves exhibit antidiabetic activity and is consumed as a herbal tea in China. In this study, phytochemical profiles of L. polystachyus leaves were identified and characterized by ultra‐high‐performance liquid chromatography–quadrupole time‐of‐flight–MS in both positive and negative ion modes. A total of 17 compounds were tentatively characterized and identified by accurate mass and characteristic fragment ions. The total phenolic contents in the leaf extracts ranged from 9.0 to 13.4 g gallic acid equivalents/100 g of dry weight (DW). In addition, the effect of these extracts on inhibiting the activities of α‐glucosidase and protein tyrosine phosphatase 1B (PTP1B) were evaluated. L. polystachyus extracts demonstrated significant inhibition of α‐glucosidase (more than 88.1% at a concentration of 1.25 mg/mL) and acarbose (93.6% at a concentration of 5 mg/mL) while the PTP1B inhibition rate was over 84.3%. The antioxidant capacities of the leaf extracts were determined using 2,2‐diphenyl‐1‐picrylhydrazyl, ABTS, and ferric reducing ability of plasma methods and ranged from 50.5 to 72.5 g trolox, from 43.2 to 77.7 g trolox, and from 5.0 to 10.6 g butylated hydroxytoluene (BHT; equaling trolox or BHT per 100 g of DW), respectively. Based on these results, L. polystachyus can be considered as a functional food owing to its antidiabetic and antioxidative activities, which are attributed to its rich phenolic and dihydrochalcone contents.
Spectrum–effect relationship between HPLC fingerprints and antioxidant activity ofAngelica sinensis
Authors: Fan Qin , Yang Ruijing , Yang Feixia , Xia Pengfei , Zhao Lei 
Published: October 2019

AbstractAngelica sinensisis one of the most important traditional Chinese medicines and has antioxidant activities that greatly contribute to its pharmacological action. However, the compounds responsible for its antioxidant activity remain unknown. In this study, the fingerprints of 10 batches ofA. sinensiscollected from different locations in China were established with HPLC to identify the common peaks. The antioxidant activities of these 10 batches were evaluated with 2,2‐diphenyl‐1‐picrylhydrazyl, 2,2′‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) diammonium salt, and ferric‐reducing antioxidant power assays. The spectrum–effect relationship between HPLC fingerprints and antioxidant effect ofA. sinensiswas examined by the partial‐least‐square regression analysis and the variable importance in projection method. Results showed that the antioxidant effect ofA. sinensisresults from the synergistic effect of various compounds, and peaks X3 and X7–X18 were the main substances responsible for antioxidant efficacy. This study successfully identified the spectrum–effect relationship between HPLC fingerprints and the antioxidant effect ofA. sinensis. This relationship can provide methods for establishing the quality standards forA. sinensisand developing new and effective products ofA. sinensisbased on its antioxidant ingredients.
The development and validation of a novel LC–MS/MS method for the quantification of cenicriviroc in human plasma and cerebrospinal fluid
Authors: Dilly Penchala Sujan , Alagaratnam Jasmini , Challenger Elizabeth , Amara Alieu , Else Laura , Winston Alan , Khoo Saye 
Published: October 2019

AbstractA high‐performance liquid chromatography tandem mass spectrometric method was developed and validated for cenicriviroc (CVC) quantification in human plasma and cerebrospinal fluid (CSF). The method involved precipitation with acetonitrile and injecting supernatants onto the column. Separation was achieved on an XBridge C18 column with a gradient elution of 0.1% formic acid in water and acetonitrile. Analyte detection was conducted in positive ion mode using selected reaction monitoring. The m/z transitions were: CVC (697.3 → 574.3) and CVC‐d7 (704.4 → 574.3). Calibration curve ranged from 5 to 1000 ng/mL for plasma and from 0.241 to 15.0 ng/mL for CSF. The intra‐ and inter‐day precision and accuracy were <15% for both plasma and CSF across four different concentrations. CVC recovery from plasma and artificial CSF was >90%. The method was utilized for the measurement of patients’ plasma and CSF samples taking a dose of 50, 150 and 300 mg q.d.