bluuebunny/crossref_metadata_2025_split huggingface dataset:
Classical and Reverse Substituent Effects in Substituted Anthrol Derivatives
Authors: Szatylowicz Halina , Domanski Mateusz A. , Krygowski Tadeusz M. 
Published: January 2019

AbstractThe substituent effect in 1‐, 2‐, and 9‐anthrols is studied by means of B3LYP/6‐311++G(d,p) computation, taking into account substituents (X): NO2, CN, OH and NH2 located in all positions except the adjacent ones. The substituent effect is characterized by approaches based on quantum chemistry: The charge of the substituent active region (cSAR), substituent effect stabilization energy (SESE) and the charge flow index (CFI) describing flow of the charge from X to the fixed group (or vice versa) as well as substituent constants σ. Changes in properties observed in the fixed group (OH) are described by cSAR(OH). Mutual interdependences are found between these descriptors. The HOMA index is used to describe an effect of a substituent on aromaticity of an anthrol hydrocarbon skeleton and of individual rings. In all cases, the classical (influence of X on the properties of OH) and reverse (influence of OH on the properties of X) substituent effects are studied. The latter is clearly documented by the cSAR approach.
Identifying patients using antidepressants for the treatment of depression: A predictive algorithm for use in pharmaceutical and medical claims data
Authors: Havard Alys , Straka Peter , Sara Grant , Lujic Sanja , Tran Duong T. , Jorm Louisa R. 
Published: January 2019

AbstractPurposeRecords of antidepressant dispensings are often used as a surrogate measure of depression. However, as antidepressants are frequently prescribed for indications other than depression, this is likely to result in misclassification. This study aimed to develop a predictive algorithm that identifies patients using antidepressants for the treatment of depression.MethodsPharmaceutical Benefits Scheme (PBS) and Medicare Benefits Schedule (MBS) claims data were linked to follow‐up questionnaires (completed in 2012‐2013) for participants of the 45 and Up Study—a cohort study of residents of New South Wales, Australia, aged 45 years and older. The sample composed participants who were dispensed an antidepressant in the 30 days prior to questionnaire completion (n = 3162). An algorithm based on patient characteristics, pharmaceutical dispensings, and claims for mental health services was built using group‐lasso interaction network (glinternet), with self‐reported receipt of treatment for depression as the outcome. The predictive performance of the algorithm was assessed via bootstrap resampling.ResultsThe algorithm composes 15 main effects and 11 interactions, with type of antidepressant dispensed and claims for mental health services the strongest predictors. The ability of the algorithm to discriminate between antidepressant users with and without depression was 0.73. At a predicted probability cut‐off of 0.6, specificity was 93.8% and sensitivity was 23.6%.ConclusionsUsing this algorithm with a high probability cut‐off yields high specificity and facilitates the exclusion of individuals using antidepressants for indications other than depression, thereby mitigating the risk of confounding by indication when evaluating the outcomes of antidepressant use.
A randomized controlled trial of 24 weeks of varenicline for tobacco use among cancer patients: Efficacy, safety, and adherence
Authors: Schnoll Robert , Leone Frank , Veluz‐Wilkins Anna , Miele Andrew , Hole Anita , Jao Nancy C. , Paul Wileyto E. , Carroll Allison J. , Kalhan Ravi , Patel Jyoti , Langer Corey , Lubitz Su Fen , Hitsman Brian 
Published: January 2019

AbstractObjectiveContinuing to smoke after a cancer diagnosis undermines prognosis. Yet few trials have tested Food and Drug Administration (FDA)‐approved tobacco use medications in this population. Extended use varenicline may represent an effective treatment for cancer patients who smoke given barriers to cessation including a prolonged time line for relapse.MethodsA placebo‐controlled randomized trial tested 12 weeks of varenicline plus 12 weeks of placebo (standard [ST]) vs 24 weeks of varenicline (extended [ET]) with seven counseling sessions for treatment‐seeking cancer patients who smoke (N = 207). Primary outcomes were 7‐day biochemically confirmed abstinence at weeks 24 and 52. Treatment adherence and side effects, adverse and serious adverse events, and blood pressure were assessed.ResultsPoint prevalence and continuous abstinence quit rates at weeks 24 and 52 were not significantly different across treatment arms (P's > 0.05). Adherence (43% of sample) significantly interacted with treatment arm for week 24 point prevalence (odds ratio [OR] = 2.31; 95% confidence interval [CI], 1.15‐4.63; P = 0.02) and continuous (OR = 5.82; 95% CI, 2.66‐12.71; P < 0.001) abstinence. For both outcomes, adherent participants who received ET reported higher abstinence (60.5% and 44.2%) vs ST (44.7% and 27.7%), but differences in quit rates between arms were not significant for nonadherent participants (ET: 9.7% and 4.8%; ST: 12.7% and 10.9%). There were no significant differences between treatment arms on side effects, adverse and serious adverse events, and rates of high blood pressure (P's > 0.05).ConclusionsCompared with ST, ET varenicline does not increase patient risk and increases smoking cessation rates among patients who adhere to treatment. Studies are needed to identify effective methods to increase medication adherence to treat patient tobacco use effectively.
Proteomics in Kidney Allograft Transplantation—Application of Molecular Pathway Analysis for Kidney Allograft Disease Phenotypic Biomarker Selection
Authors: Marx David , Metzger Jochen , Olagne Jérôme , Belczacka Iwona , Faguer Stanislas , Colombat Magali , Husi Holger , Mullen William , Gwinner Wilfried , Caillard Sophie 
Published: January 2019

There is a need for accurate, robust, non‐invasive methods to provide early diagnosis of graft lesions after kidney transplantation. A multitude of proteomic biomarkers for the major kidney allograft disease phenotypes defined by the BANFF classification criteria have been described in literature. None of these biomarkers have been established in the clinic. A key reason for this is the lack of clinical validation which is difficult, as even the gold standard of diagnosis, kidney biopsy, is often ambiguous.The semantic clustering by ReviGO on top of transcriptomic pathway analysis is evaluated to connect histological and transcriptomic kidney allograft disease characteristics with proteomic biomarker qualification.By using public data generated in microarray studies of kidney allograft tissue, biological processes and key molecules specifically associated with the different kidney allograft disease phenotypes are identified.Semantic clustering holds the promise to guide adaptation of proteomic marker panels to molecular pathology. This can support the development of noninvasive tests (e.g. in urine, by capillary electrophoresis mass spectrometry) that simultaneously detect diverse kidney allograft phenotypes with high accuracy and sensitivity.
Effect of manual physiotherapy in homogeneous individuals with subacromial shoulder impingement: A randomized controlled trial
Authors: Land Helen , Gordon Susan , Watt Kerrianne 
Published: January 2019

AbstractObjectiveTo compare the effect of specific interventions aimed at (1) the upper thoracic spine (passive mobilization) and (2) the posterior shoulder (massage, passive mobilization, and stretching) to (3) an active control intervention in a homogeneous group with extrinsic subacromial shoulder impingement (SSI).Study DesignSingle‐centre, prospective, double‐blinded, randomized controlled trial.MethodEligible individuals with clearly defined extrinsic SSI were randomized to each group. Treatment duration was 12 consecutive weeks consisting of nine treatments over 6 weeks, followed by 6 weeks when one home exercise was performed daily. Outcomes included (1) active thoracic flexion/extension range of motion, (2) passive glenohumeral internal rotation and posterior shoulder range, (3) pain rating, and (4) shoulder pain and function disability index. Data were analysed at baseline, 6 and 12 weeks. Shoulder pain and function disability index scores were investigated via email 6 months after commencement of treatment.ResultsTwenty participants completed treatment in each group. No differences were identified between groups at baseline. Upper thoracic and posterior shoulder interventions, with a targeted home exercise, both significantly decreased pain and increased function scores and increased posterior shoulder range compared with active control at 12 weeks, and 6 months following cessation of the trial.ConclusionManual therapy treatment that addresses these extrinsic factors, of thoracic spine or posterior shoulder tightness, decreases the signs and symptoms of SSI.The trial is registered with the Australian New Zealand Clinical Trials Registry (ANZCTR; 12615001303538).
Nanoscale flow cytometry to distinguish subpopulations of prostate extracellular vesicles in patient plasma
Authors: Padda Ranjit S. , Deng Florence K. , Brett Sabine I. , Biggs Colleen N. , Durfee Paul N. , Brinker Charles J. , Williams Karla C. , Leong Hon S. 
Published: January 2019

ObjectiveTo determine if prostate‐derived extracellular vesicles (EVs) present in patient plasma samples are of exocytotic origin (exosomes) or released by the cell membrane (microparticles/microvesicles). Both malignant and normal prostate cells release two types of EVs into the circulation, exosomes, and microparticles/microvesicles which differ in size, origin, and mode of release. Determining what proportion of prostate‐derived EVs are of exosomal versus microparticle/microvesicle EV subtype is of potential diagnostic significance.Materials and MethodsMulti‐parametric analytical platforms such as nanoscale flow cytometry (nFC) were used to analyze prostate derived extracellular vesicles. Plasmas from prostate cancer (PCa) patient plasmas representing benign prostatic hyperplasia (BPH), low grade prostate cancer (Gleason Score 3 + 3) and high grade prostate cancer (Gleason Score ≥4 + 4) were analyzed for various exosome markers (CD9, CD63, CD81) and a prostate specific tissue marker (prostate specific membrane antigen/PSMA).ResultsBy using nanoscale flow cytometry, we determine that prostate derived EVs are primarily of cell membrane origin, microparticles/microvesicles, and not all PSMA expressing EVs co‐express exosomal markers such as CD9, CD63, and CD81. CD9 was the most abundant exosomal marker on prostate derived EVs (12‐19%). There was no trend observed in terms of more PSMA + CD9 or PSMA + CD63 co‐expressing EVs versus increasing grade of prostate cancer.ConclusionThe majority of prostate derived EVs present in plasmas are from the cell membrane as evidenced by their size and most importantly, lack of co‐expression of exosomal markers such as CD9/CD63/CD81. In fact, CD81 was not present on any prostate derived EVs in patient plasmas whereas CD9 was present on a minority of prostate derived EVs. The addition of an exosomal marker for detection of prostate‐derived EVs does not provide greater clarity in distinguishing EVs released by the prostate.
Toward a new method to classify the airblast sprayers according to their potential drift reduction: comparison of direct and new indirect measurement methods
Authors: Grella Marco , Marucco Paolo , Balsari Paolo 
Published: January 2019

ABSTRACTBACKGROUNDDrift is one of the most important issues to consider for realising sustainable pesticide sprays. This study proposes an alternative indirect methodology for comparative measurements of drift reduction potential (DRP) generated by airblast sprayers, aimed at overcoming the practical inconveniences and drawbacks of standardized ISO 22866:2005. A test bench in the absence of target crop and wind was employed to measure drift potential values (DPVs). A variation to the proposed method that introduced a crop between sprayer and test bench device was considered to study the canopy effect (absence/presence) and to validate the method. In parallel, direct spray drift measurements (ISO 22866) were performed to obtain the drift value (DV). A representative vineyard airblast sprayer was evaluated in four configurations (a combination of two fan airflow rates and two nozzle types). The configurations tested under the three methods (direct and indirects) were classified according to achieved drift reduction percentages (ISO 22369‐1:2013) and compared.RESULTSIndirect methods discriminated DPVs from different nozzles (conventional, air induction) and fan airflow rate (high, low) combinations. Indirect methods also showed that despite crop influence on drift amount, target absence has a negligible effect when used specifically for DRP determination/classification. In fact, identical DRP final classifications were achieved for the two methodologies tested. Alternatively, all tested configurations resulted in lower DR values following the ISO 22866 field method, which caused different final classifications due to the high dependence of results on external factors.CONCLUSIONSThe alternative test bench methodology, characterized by the absence of target crop and calm of wind, was considered feasible for comparative measurements of airblast sprayer DRP. © 2019 Society of Chemical Industry
Design and implementation of qth quantile‐unbiased tr‐chart for monitoring times between events
Authors: Kumar Nirpeksh , Baranwal Amita 
Published: January 2019

AbstractThe times between events control charts have been proposed in literature for statistical monitoring of high‐yield processes by observing the waiting times up to rth (r ≥ 1 ) non‐conforming items or defects. The average run length (ARL) is the most widely used performance measure to evaluate the chart's performance, but in recent years, it has been subjected to criticisms. Because the run length distribution is highly skewed and hence, the ARL is not necessarily a typical value of the run length. Thus, evaluation of the control chart based on ARL alone could be misleading. In this paper, the quantiles of run length distribution are considered, instead of ARL, to design the tr‐chart. Further, we eliminate the bias in qth quantile function of the tr‐chart for both the known and unknown parameter case. In particular, the MRL‐unbiased tr‐chart is discussed in detail and compared with the ARL‐unbiased tr‐chart. It is found that the MRL‐unbiased tr‐chart outperforms than the corresponding ARL‐unbiased chart in unknown parameter case. It is also found that the proposed chart requires less phase I observations than that of the earlier studies has been suggested.
Monitoring Bernoulli processes considering measurement errors and learning effect
Authors: Daryabari S. Abedin , Malmir Behnam , Amiri Amirhossein 
Published: January 2019

AbstractThis paper presents the effect of measurement errors and learning on monitoring processes with individual Bernoulli observations. A cumulative sum control chart is considered to evaluate the possible impacts of measurement errors and learning. We propose a time‐dependent learning effect model along with measurement errors and incorporate them into the Bernoulli CUSUM control chart statistic. The performance of the Bernoulli CUSUM control chart is then merely assessed by comparing the average number of observations to signal (ANOS) under two proposed conditions with the condition of no possible errors. Thus, the ANOS values are obtained under different proportions of non‐conforming items, once considering errors due to measurement by inspectors, and once considering both errors and learning effect together. The experimental results show that the efficiency of the control chart to detect assignable causes deteriorates in the presence of measurement errors and enhances when learning affects operators' performance. The proposed approach has a potential to be used in monitoring high‐quality Bernoulli processes as well as disease diagnosis, and other health care applications with Bernoulli observations.
Desorption Regeneration Performance of Magnetic Bentonite after Pb(II) Adsorbed
Authors: Zou Chenglong , Jiang Wei , Liang Jiyan , Guan Yinyan , Sun Xiaohang 
Published: January 2019

AbstractBentonite and its modifications have been widely used in the environmental pollution control and adsorption of heavy metals ions due to the large surface area, high adsorption capacity and low cost. However, it will become hazardous solid waste after saturation adsorption with a difficult problem to treat it. So the saturated adsorbent after adsorption of heavy metal ions needs to be disposed of properly. It will be of great scientific and economic value to study the regeneration recycling of bentonite after heavy metals ions adsorption. Desorption regeneration of magnetic bentonite (M−B) after Pb(II) adsorption with NaNO3 solution was studied in this paper. The effects of several parameters on desorption regeneration were explored and it showed effective desorption regeneration performance. The desorption rate reached 90.21% using 50 mL g–1 and 1.00 mol L–1 NaNO3 desorption liquid at pH 3.0, 35 °C for the first time.The desorption process better conformed to the second‐order kinetic equation and the Langmuir model. The physical and chemical feature of regenerated M−B and the original were comparatively analyzed by XRD, FT‐IR, SEM and BET. It showed that M−B still remained stable structure after 6 times adsorption–desorption cycles. The study will provide useful experiences and references for its high effective utilization.
Facile Synthesis and Characterization of MOF‐Derived Porous Co3O4 Composite for Oxygen Evolution Reaction
Authors: Gong Yaqiong , Xu Zhoufeng , Pan Hailong 
Published: January 2019

AbstractOxygen evolution reaction (OER) has gained wide attentions due to its important role in hydrogen production. Being one of the half reactions, the water oxidation was proved to be the key step to restrain the overall of water splitting. Herein, Co3O4 composites were successfully obtained by directly annealing a MOF‐derived Co complex under air condition. The Co3O4 complex with a surface area of 34.7 m2/g and wider pore size distribution obtained at 350°C was found to be the most active OER catalyst in 1 M KOH, an overpotential of 420 mV@10 mA/cm2 with a Tafel slope of 55 mV/dec was detected. This simple and inexpensive approach makes it become a new candidate for OER.
Cyanation of Aryl and Heteroaryl Aldehydes Using In‐Situ‐Synthesized Ag Nanoparticles in Crocus sativus L. Extract
Authors: Sajadi S. Mohammad , Nasrollahzadeh Mahmoud , Akbari Reza 
Published: January 2019

AbstractAn efficient, inexpensive and simple methodology has been reported for the cyanation of aryl and heteroaryl aldehydes using in situ synthesized silver nanoparticles (Ag NPs) with the use of Crocus sativus L. aqueous extract as a reducing and stabilizing biomedia. Furthermore, stable and cheap silver precursor (AgNO3) along with the non‐toxic, efficient and inexpensive cyanide source K4[Fe(CN)6] are used for this reaction. This system provides an alternative protocol to the existing methods for the synthesis of aryl and heteroaryl nitriles. All products were obtained in good to excellent yields under ligand‐ and organic solvent‐free conditions. The fourier‐transform infrared spectroscopy (FT‐IR), Ultraviolet–visible spectroscopy (UV‐Vis), X‐ray powder diffraction (XRD) and transmission electron microscopy (TEM) techniques were used for the characterization of the biosynthesized Ag NPs.
Nickel‐Catalyzed Annulation of 2′‐Aminochalcones: A Simplistic Access to 4‐Styryl and 2,4‐Distyrylquinolines
Authors: Satish Gandhesiri , Ashok Polu , Kota Laxman , Ilangovan Andivelu 
Published: January 2019

AbstractA nickel catalyzed straightforward method for the construction of functionalized 4‐styrylquinolines via Friedlander coupling of 2′‐aminochalcones with 1,3‐dicarbonyl compounds or cyclic ketones is described. This method offers both cycloalkyl and styryrl groups fused quinoline skeleton in one pot. Further, 4‐styrylquinolines on treatment with aryl aldehydes gave corresponding 2,4‐distyrylquinolines in highly regioselective manner.
An Excellent Solid Acid Catalyst Derived from Microalgae Residue for Fructose Dehydration into 5‐Hydroxymethylfurural
Authors: Zhang Jianghua , Yang Shasha , Zhang Zhenxin , Cui Li , Jia Jin , Zhou Dayong , Zhu Beiwei 
Published: January 2019

AbstractAn environmentally benign carbonaceous solid acid was synthesized from microalgae residue discarded after biodiesel production. Thereafter, the as‐synthesized carbonaceous solid acid was used for catalytic dehydration of fructose into 5‐hydroxymethylfurural (5‐HMF). Various techniques such as X‐ray diffraction, N2 adsorption‐desorption, scanning electron microscopy, Fourier transform infrared, Raman, X‐ray photoelectron spectroscopy and pyridine adsorption etc were conducted to elucidate the structural and acidic properties of the solid acid so as to build the structure‐performance relationship. The results suggested that large amounts of ‐SO3H, phenolic ‐OH and ‐COOH groups were grafted onto the investigated material and most of the surface acid sites were assigned to strong Brönsted acid sites. In screening tests with other commercial catalysts, the as‐prepared sample presented excellent catalytic activity with 76.65±2.53% yield of 5‐HMF under aqueous conditions. The dehydration of fructose in dimethyl sulfoxide‐water biphasic system was also tested, affording the 5‐HMF yield as high as 93.84±1.12%. This work provides an efficient and selective solid acid from biodiesel waste and might shed light on an alternative catalyst for highly efficient production of 5‐HMF instead of homogeneous catalysts.
Lewis‐Acid‐Catalyzed Direct Nucleophilic Substitution Reaction of Alcohols for the Functionalization of Aromatic Amines
Authors: Nayal Onkar S. , Thakur Maheshwar S. , Rana Rohit , Upadhyay Rahul , Maurya Sushil K. 
Published: January 2019

AbstractN‐Alkylation of aromatic amines with alcohols is an efficient route for the synthesis of higher benzylamines. Herein, we explore an efficient catalytic activity of tin(ii) triflate for the N‐alkylation of secondary anilines with alcohols for the synthesis of tertiary benzylamines. Mechanistic studies suggest that the developed protocol follows direct nucleophilic substitution pathway instead of imine or enamine pathway. The developed method is also useful for the synthesis of secondary amines as well as late stage functionalization of naturally occurring alcohols.
A Versatile, Mild and Selective Reduction of Nitroarenes to Aminoarenes Catalyzed by CeO2 Nanoparticles with Hydrazine Hydrate
Authors: Anbu Nagaraj , Vijayan Chellappa , Dhakshinamoorthy Amarajothi 
Published: January 2019

AbstractA simple and convenient protocol is reported for the conversion of nitroarenes to aminoarenes by employing CeO2 nanoparticles (n‐CeO2) as heterogeneous solid catalysts using hydrazine hydrate as reducing agent under mild reaction conditions. A quantitative conversion of nitrobenzene is achieved using n‐CeO2 as solid catalyst with aniline selectivity to 93%. Further, this catalyst is also effectively used to transform wide range of nitroarenes to their respective aniline derivatives in higher conversions and selectivities. The reaction is found to be heterogeneous by leaching experiment and n‐CeO2 can be used for three cycles with no drop in its activity. Furthermore, the analyses of the fresh and three times used n‐CeO2 samples by powder X‐ray diffraction (XRD), UV‐Vis diffuse reflectance spectra (DRS), Fourier Transform‐Infrared Spectroscopy (FT‐IR), scanning electron microscope (SEM) and transmission electron microscope (TEM) indicate that the structural integrity, surface morphology and particle size remain unaltered during the course of the reaction. Furthermore, the valence state of Ce in n‐CeO2 is identical in the fresh and three times used samples as evidenced by Fourier Transform Raman spectroscopy. Some of the salient features of this process are operational simplicity, high conversion/selectivity, functional group tolerance, absence of noble metals/additives and reusability of the catalyst.