bluuebunny/crossref_metadata_2025 huggingface dataset:
Advances in the Synthesis of Methylated Products through Indirect Approaches
Authors: Chen Yantao
Published: October 2019

Methylation 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.

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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

Liquid‐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

An 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

Fluorescence 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

Raspberry 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

Ibrutinib 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

Abivertinib 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

Lithocarpus 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

Angelica 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

A 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.
Nutritional and functional properties of cookies made using down‐graded lentil – A candidate for novel food production and crop utilization
Authors: Portman Drew , Maharjan Pankaj , McDonald Linda , Laskovska Slavica , Walker Cassandra , Irvin Heidi , Blanchard Chris , Naiker Mani , Panozzo Joe F.
Published: October 2019

Background and objectives

Lentil (Lens culinaris M.) is a high‐value grain used traditionally as a minimally processed product. Lentil crops are well‐suited to Mediterranean‐type climates with mild winters and hot dry summers which results in the production of high‐value grain. However, extreme weather conditions, such as frost, can impact the lentil seed, for example, a darkened seed color and distorted seed shape resulting in a downgrade of its market value. The quality parameters of lentil when milled as wholemeal flour is not reliant on visual or physical seed traits such as seed size and color which impact on the market value in traditional market specifications. Instead, quality parameters such as those applied in the assessment of wheat, these include flour yield and color would be appropriate parameters to determine the value of lentil flour. It is proposed that flour, even from down‐graded lentil could be supplemented with wheat flour and used to enhance the quality profile of baked products including breads, pastas, and cookies.

Findings

This study investigated the use of premium and frost‐damaged lentil flour in cookie making. Overall cookies made from wheat–lentil composite blends resulted in flatter and wider cookies that were darker than the cookies made from 100% wheat flour. Cookies made by incorporating lentil and wheat flour resulted in a significant increase in total protein, insoluble fiber, and oligosaccharides (p < .05). In addition, the phenolic acids kaempferol and procyanidin were detected in cookies made using wheat–lentil contributing to an increase in antioxidant activity (p < .05). These phenolic acids were not detected in cookies made from 100% wheat flour. Our results show that using concentrations of up to 25% lentil flour resulted in cookies that had expectable hardness and color characteristics in comparison with a 100% wheat biscuit.

Conclusion

This research showed that the nutritional value and functional properties of cookies can be significantly enhanced by using either premium or down‐graded lentil and the quality of the cookies was not impacted by the market‐grade of the raw material.

Significance and novelty

Investigations into the use of pulse flours such as lentil in novel food products including pasta and snack foods are gaining popularity particularly by the health‐conscious consumer. The visual appearance of lentil is not critical when utilized in such products. Lentil that has been visually or physically affected by adverse weather conditions, but its nutritional and functional values have not been compromised may prove a viable inclusion in the creation of highly nutritious food alternatives. The use of down‐graded lentil as flour in novel food production could ultimately add value to pulse grain affected by adverse environmental conditions.
Pharmacokinetic Similarity of ABP 710, a Proposed Biosimilar to Infliximab: Results From a Randomized, Single‐Blind, Single‐Dose, Parallel‐Group Study in Healthy Subjects
Authors: Chow Vincent , Oh MyungShin , Gessner Melissa A. , Fanjiang Gary
Published: October 2019

This was a randomized, single‐blind, single‐dose, 3‐arm parallel‐group study. Healthy subjects were randomized to receive ABP 710 (n = 50) or infliximab reference product (RP) sourced from the United States (infliximab US; n = 50) or the European Union (infliximab EU; n = 50) 5 mg/kg intravenously over 2 hours. The primary endpoint was area under the serum concentration–time curve from time 0 extrapolated to infinity (AUCinf) for the comparison of ABP 710 to infliximab US and infliximab EU. Secondary endpoints included safety, tolerability, and immunogenicity. AUCinf was similar across the 3 groups, showing similarity of ABP 710 to infliximab RP as well as similarity of infliximab US with infliximab EU. Geometric mean ratio of AUCinf was 0.89 between ABP 710 and infliximab US, 1.00 between ABP 710 and infliximab EU, and 1.11 between infliximab US and infliximab EU. All 90% confidence intervals of the geometric mean ratios were fully contained within the prespecified standard pharmacokinetic equivalence criteria range of 0.80 to 1.25. Treatment‐related adverse events were mild to moderate and reported for 83.7%, 86.0%, and 83.7% of subjects in the ABP 710, infliximab US, and infliximab EU treatment groups, respectively; incidence of antidrug antibody rates observed across the 3 groups were similar. Results of this study demonstrated pharmacokinetic similarity of ABP 710 with infliximab RP following a single 5‐mg/kg intravenous injection. The safety and tolerability of ABP 710 and infliximab RP were comparable. These results add to the totality of evidence providing further support that the proposed biosimilar ABP 710 is similar to infliximab RP. (Trial ID: ACTRN12614000903684.)
Dose‐Dependent Inhibition of OATP1B by Rifampicin in Healthy Volunteers: Comprehensive Evaluation of Candidate Biomarkers and OATP1B Probe Drugs
Authors: Mori Daiki , Kimoto Emi , Rago Brian , Kondo Yusuke , King‐Ahmad Amanda , Ramanathan Ragu , Wood Linda S. , Johnson Jillian G. , Le Vu H. , Vourvahis Manoli , David Rodrigues A. , Muto Chieko , Furihata Kenichi , Sugiyama Yuichi , Kusuhara Hiroyuki
Published: October 2019

To address the most appropriate endogenous biomarker for drug–drug interaction risk assessment, eight healthy subjects received an organic anion transporting polypeptide 1B (OATP1B) inhibitor (rifampicin, 150, 300, and 600 mg), and a probe drug cocktail (atorvastatin, pitavastatin, rosuvastatin, and valsartan). In addition to coproporphyrin I, a widely studied OATP1B biomarker, we identified at least 4 out of 28 compounds (direct bilirubin, glycochenodeoxycholate‐3‐glucuronide, glycochenodeoxycholate‐3‐sulfate, and hexadecanedioate) that presented good sensitivity and dynamic range in terms of the rifampicin dose‐dependent change in area under the plasma concentration‐time curve ratio (AUCR). Their suitability as OATP1B biomarkers was also supported by the good correlation of AUC0‐24h between the endogenous compounds and the probe drugs, and by nonlinear regression analysis (AUCR−1 vs. rifampicin plasma Cmax (maximum total concentration in plasma)) to yield an estimate of the inhibition constant of rifampicin. These endogenous substrates can complement existing OATP1B‐mediated drug–drug interaction risk assessment approaches based on agency guidelines in early clinical trials.
Single Therapeutic and Supratherapeutic Doses of Ubrogepant Do Not Affect Cardiac Repolarization in Healthy Adults: Results From a Randomized Trial
Authors: Jakate Abhijeet , Boinpally Ramesh , Butler Matthew , Lu Kaifeng , McGeeney Danielle , Periclou Antonia
Published: October 2019

Ubrogepant is a novel, oral calcitonin gene–related peptide receptor antagonist currently under US Food and Drug Administration (FDA) review for the acute treatment of migraine attacks. This double‐blind, four‐period crossover study compared the cardiac repolarization effect of therapeutic (100 mg) and supratherapeutic (400 mg) ubrogepant doses vs. placebo in healthy adults. Moxifloxacin 400 mg was used as an open‐label active control, and the primary end point was change from baseline in Fridericia‐corrected QT intervals (ΔQTcF). Assay sensitivity was demonstrated via statistically significant QTcF prolongation with moxifloxacin vs. placebo. After single oral doses of ubrogepant, the least squares mean placebo‐corrected ΔQTcF (ΔΔQTcF) and 90% confidence intervals (CIs) did not exceed the 10‐millisecond regulatory threshold at any timepoint. The 90% CI upper bounds were 2.46 milliseconds and 2.69 milliseconds for ubrogepant 100 and 400 mg, respectively. Categorical and concentration‐based analyses were consistent with the primary result, showing no significant impact of ubrogepant on cardiac repolarization.
Si@SnS2–Reduced Graphene Oxide Composite Anodes for High‐Capacity Lithium‐Ion Batteries
Authors: Dai Jinyan , Liao Jiang , He Minyi , Yang Mengmeng , Wu Kaipeng , Yao Weitang
Published: October 2019

One of the key challenges for the development of lithium‐ion batteries is the preparation of high‐performance anode materials. In this paper, a micro/nanostructured Si@SnS2‐rGO composite is reported in which Si nanoparticles with a particle size of 30 nm are electrostatically anchored on a 3D reduced graphene oxide (rGO) network and mixed with SnS2. The step‐wise lithiation/delithiation of SnS2 provided space‐constraining effects to accommodate volume expansion and particle aggregation, thereby alleviating the volume expansion of Si during cycling as well as enhancing the structural stability, whereas the rGO in the 3D network stabilized the composite. The composite had a high specific capacity of 1480.1 mAh g−1 after 200 cycles at a current density of 200 mA g−1 and a high stability at rates of 200–3000 mA g−1. The capacity attenuation after cycling was only 89.18 %. A stable specific capacity (425.5 mAh g−1) was achieved after 600 cycles at a current density of 3000 mA g−1. Therefore, the micro/nanostructured Si@SnS2‐rGO composite is a promising anode material for use in lithium‐ion batteries.
Cooperation as a solution to shared resources in territorial use rights in fisheries
Authors: Aceves‐Bueno Eréndira , Miller Steve J. , Cornejo‐Donoso Jorge , Gaines Steven D.
Published: October 2019

Territorial use rights in fisheries (TURFs) are coastal territories assigned to fishermen for the exclusive extraction of marine resources. Recent evidence shows that the incentives that arise from these systems can improve fisheries sustainability. Although research on TURFs has increased in recent years, important questions regarding the social and ecological dynamics underlying their success remain largely unanswered. In particular, in order to create new successful TURFs, it is critical to comprehend how fish movement over different distances affects the development of sustainable fishing practices within a TURF. In theory, excessive spillover outside a TURF will generate incentives to overharvest. However, many TURFs have proven successful even when targeted species move over distances far greater than the TURF's size. A common attribute among some of these successful systems is the presence of inter‐TURF cooperation arrangements. This raises the question of how different levels and types of cooperation affect the motivations for overharvesting driven by the movement of fish outside the TURF. In this paper, we examine equilibrium yields under different levels of inter‐TURF cooperation (from partial to full) and varying degrees of asymmetry across TURFs of both biological capacity and benefit‐sharing. We find that partial cooperation can improve yields even with an unequal distribution of shared benefits and asymmetric carrying capacity. However, cooperation arrangements are unstable if the sharing agreement and biological asymmetries are misaligned. Remarkably, we find that asymmetry in the system can lead to the creation of voluntary no‐take zones.
Site‐specific responses of foliar fungal microbiomes to nutrient addition and herbivory at different spatial scales
Authors: Lumibao Candice Y. , Borer Elizabeth T. , Condon Bradford , Kinkel Linda , May Georgiana , Seabloom Eric W.
Published: October 2019

The plant microbiome can affect host function in many ways and characterizing the ecological factors that shape endophytic (microbes living inside host plant tissues) community diversity is a key step in understanding the impacts of environmental change on these communities. Phylogenetic relatedness among members of a community offers a way of quantifying phylogenetic diversity of a community and can provide insight into the ecological factors that shape endophyte microbiomes. We examined the effects of experimental nutrient addition and herbivory exclusion on the phylogenetic diversity of foliar fungal endophyte communities of the grass speciesAndropogon gerardiiat four sites in the Great Plains of the central USA. Using amplicon sequencing, we characterized the effects of fertilization and herbivory on fungal community phylogenetic diversity at spatial scales that spanned within‐host to between sites across the Great Plains. Despite increasing fungal diversity and richness, at larger spatial scales, fungal microbiomes were composed of taxa showing random phylogenetic associations. Phylogenetic diversity did not differ systematically when summed across increasing spatial scales from a few meters within plots to hundreds of kilometers among sites. We observed substantial shifts in composition across sites, demonstrating distinct but similarly diverse fungal communities were maintained within sites across the region. In contrast, at the scale of within leaves, fungal communities tended to be comprised of closely related taxa regardless of the environment, but there were no shifts in phylogenetic composition among communities. We also found that nutrient addition (fertilization) and herbivory have varying effects at different sites. These results suggest that the direction and magnitude of the outcomes of environmental modifications likely depend on the spatial scale considered, and can also be constrained by regional site differences in microbial diversity and composition.
On the immune response to barley in celiac disease: Biased and public T‐cell receptor usage to a barley unique and immunodominant gluten epitope
Authors: Dahal‐Koirala Shiva , Neumann Ralf S. , Jahnsen Jørgen , Lundin Knut E.A. , Sollid Ludvig M.
Published: October 2019

Celiac disease (CeD) is driven by CD4+ T‐cell responses to dietary gluten proteins of wheat, barley, and rye when deamidated gluten epitopes are presented by certain disease‐associated HLA‐DQ allotypes. About 90% of the CeD patients express HLA‐DQ2.5. In such patients, five gluten epitopes dominate the anti‐gluten T‐cell response; two epitopes unique to wheat, two epitopes present in wheat, barley, and rye and one epitope unique to barley. Despite presence of barley in commonly consumed food and beverages and hence being a prominent source of gluten, knowledge about T‐cell responses elicited by barley in CeD is scarce. Therefore, in this study, we explored T‐cell response toward the barley unique epitope DQ2.5‐hor‐3 (PIPEQPQPY) by undertaking HLA‐DQ:gluten peptide tetramer staining, single‐cell T‐cell receptor (TCR) αβ sequencing, T‐cell cloning, and T‐cell proliferation studies. We demonstrate that majority of the CeD patients generate T‐cell response to DQ2.5‐hor‐3, and this response is characterized by clonal expansion, preferential TCR V‐gene usage and public TCR features thus echoing findings previously made for wheat gluten epitopes. The knowledge that biased and public TCRs underpin the T‐cell response to all the immunodominant gluten epitopes in CeD suggests that such T cells are promising diagnostic and therapeutic targets.
Too great to act in solidarity: The negative relationship between collective narcissism and solidarity‐based collective action
Authors: Górska Paulina , Stefaniak Anna , Malinowska Katarzyna , Lipowska Katarzyna , Marchlewska Marta , Budziszewska Magdalena , Maciantowicz Oliwia
Published: October 2019

Three studies examined the association between narcissistic identification with one’s advantaged in‐group and engagement in solidarity‐based collective action. Drawing on theory and past research, a negative effect of collective narcissism on solidarity‐based collective action was expected. A two‐wave longitudinal study (N = 162) found that Polish participants’ narcissistic, but not secure, national identification decreased their willingness to engage in collective action in solidarity with refugees over time. A field study (N = 258) performed during a mass protest against a proposed abortion ban showed that men’s gender‐based collective narcissism was a negative predictor of solidarity‐based engagement (operationalized as protest behavior and collective action intentions) and this effect was mediated by lowered empathy for women. Finally, a web‐based survey (N = 1,992) revealed that heterosexual/cisgender individuals’ collective narcissism was negatively associated with collective action intentions in support of LGBT rights and that this effect was sequentially mediated by increased intergroup anxiety and decreased empathy for LGBT people. Theoretical implications of the present findings, research limitations, and future directions are discussed.
Stable Cesium Formamidinium Lead Halide Perovskites: A Comparison of Photophysics and Phase Purity in Thin Films and Single Crystals
Authors: Groeneveld Bart G. H. M. , Adjokatse Sampson , Nazarenko Olga , Fang Hong-Hua , Blake Graeme R. , Portale Giuseppe , Duim Herman , ten Brink Gert H. , Kovalenko Maksym V. , Loi Maria Antonietta
Published: October 2019

The stability of the active layer is an underinvestigated aspect of metal halide perovskite solar cells. Furthermore, the few articles on the subject are typically focused on thin films, which are complicated by the presence of defects and grain boundaries. Herein, a different approach is taken: a perovskite composition that is known to be stable in single crystal form is used, and its (photo‐)physical properties are studied in the form of spin‐coated thin films. The perovskites are lead‐based with cesium and formamidinium as the A‐site cations and iodide and bromide as the halide anions, with the formula Cs0.1FA0.9PbI3−xBrx. These compounds show high potential in terms of stability in single crystal form and closely resemble the compounds that have successfully been used in highly efficient perovskite–silicon tandem solar cells. It is found that a small difference in bromine content (x = 0.45 vs 0.6) has a significant impact in terms of the phase purity and charge carrier lifetimes, and conclude that the thin films of Cs0.1FA0.9PbI2.55Br0.45 have good potential for the use in optoelectronic devices.
Application of Industry 4.0 to enhance sustainable manufacturing
Authors: Jena Madhab C. , Mishra Sarat K. , Moharana Himanshu S.
Published: October 2019

The proliferation of cyber‐physical systems introduces the fourth stage of industrialization, commonly known as Industry 4.0. There are many framework and researches have been conducted to implement the concept of Industry 4.0 in a customized way for different manufacturing and service requirements. In this article, a smart factory framework is presented by vertical integration of various components that incorporates industrial network, cloud, and supervisory control terminals with different functions, such as production, maintenance, energy consumption, water consumption, and so on, in a factory for optimizing resource utilization and eliminating all type wastages to enhance sustainable manufacturing. Moreover, this kind of self‐organized system enables the factory to achieve higher efficiency, minimized negative environmental impacts and improvements in other key performance indicators. To evaluate the outcome of this model implementation, a case study has been conducted on a cement plant where it is evident that after implementation of this model of sustainable manufacturing system the key environmental performance indicators such as specific energy consumption, carbon footprint, specific water consumption was reduced. It is observed that after implementing the sustainable manufacturing techniques, there is a substantial improvement in various performance indicators, those are, production volume of the factory was increased by 13.24%, process waste percentage came down by 12.79%, OEE improved by 12.94%. The major environmental performance parameters like specific energy consumption came down by 9.33%, specific carbon foot print came down by 9.33% and specific water consumption came down by 3.12% after implementing the sustainable manufacturing model.
Comparison of the increase in methane yield using alkali pretreatment for French weed and water lettuce prior to co‐digestion
Authors: Sinbuathong Nusara , Sombat Netechanok , Meksumpun Shettapong
Published: October 2019

Co‐digestion with cow dung was undertaken of French weed (a recalcitrant weed) and water lettuce (a spongy weed). Untreated and pretreated weeds were co‐digested separately with cow dung to compare the increase in the methane (CH4) yield. The ratio of weed‐to‐cow dung‐to‐water of 10:10:80 was initially prepared. The pretreatment of weeds was performed using 1% sodium hydroxide for 24 hr at 30°C. Both weeds had the potential to produce biogas. The pretreatment increased the CH4 yield for both weeds but differently. The increase in the CH4 yield from co‐digestion of the pretreated French weed was clearly greater than for the pretreated water lettuce. Pretreatment increased the CH4 yield obtained from co‐digestion of French weed from 174 to 209 L/kg chemical oxygen demand (COD) degraded. However, the yields of the untreated and pretreated water lettuce were comparable at 209 and 210 L/kg COD degraded, respectively. Thus, a recalcitrant weed such as French weed was worth pretreating prior to co‐digestion but not a spongy weed such as water lettuce.
Utilization of oil recovered from biodiesel wastewater as an alternative feedstock for biodiesel production
Authors: Nikhom Ruamporn , Mueanmas Chokchai , Suppalakpanya Kittiphoom , Tongurai Chakrit
Published: October 2019

Biodiesel is a renewable fuel commonly used to replace diesel. Currently, biodiesel production is controversial in food security circles because edible oils are used as biodiesel feedstock. This study investigates the use of nonedible oil, recovered from biodiesel wastewater (BWW), as an alternative feedstock for biodiesel production. BWW was treated with acidification with H2SO4 to recover the oil phase from the water. The major components of the recovered oil, 56.9 wt% ester and 38.1 wt% free fatty acids (FFA), demonstrated its potential as a feedstock for biodiesel production by esterification. The optimal conditions for biodiesel production from the recovered oil were 5 wt% H2SO4, a 2:1 M ratio of ethanol to FFA, a reaction temperature of 70°C, and a reaction time of 120 min. These conditions produced biodiesel with a purity of 97.7 wt% and a yield of 98.5 wt%. Additionally, the oil recovery process greatly reduced the pollutant load in BWW, bringing the cost of treatment below the usual cost of treating BWW with a high content of organic matter.
Preparation of activated carbon from water hyacinth stems by chemical activation with K2CO3 and its performance as adsorbent of sodium naproxen
Authors: González‐García P. , Gamboa‐González Sheila , Andrade Martínez Irving , Hernández‐Quiroz Teresa
Published: October 2019

Activated carbons were obtained from water hyacinth stems using K2CO3 as activation agent, varying the impregnation time and the activation temperature and time, accordingly to a 23 factorial experimental design. The produced carbons showed activation yields (8–20%), alkaline point of zero charge (average of 9.5), methylene blue indexes from 264 to 893 m2/g, carboxylic surface groups in major proportion and graphitization degree from 4.01 to 6.27%. According to the statistical analysis, the activation temperature was significant for the yield and the methylene blue index. Activated carbon, labeled as AC5, was selected to assessing the naproxen adsorption in aqueous solution. Batch experiments yielded maximum adsorption capacity of 77.44% at pH ≈ 10.3, and contact time of 8 hr at initial concentration of 40 mg/g. The adsorption kinetics, isotherm model, and diffusion mechanism were described by the pseudo‐second order model, the Redlich‐Peterson equation and the film diffusion, respectively.
Study on the effects of the surface temperature on the formation of ammonium chloride and fly ash deposits
Authors: Zhou Hao , Chen Zhenhuan , Bai Zixian
Published: October 2019

The selective catalytic reduction technology has the potential hazards of NH3 escape while catalytically reducing NOx. The HCl in the flue gas can react with the NH3 under certain conditions to form NH4Cl and deposit in the appropriate temperature range. In this study, the deposition behavior of fly ash and NH4Cl was studied by a charge‐coupled device (CCD) camera in a drop tube furnace under the condition of the NH4Cl atmosphere. To investigate the effect of surface temperature on the deposition characteristics, we set the surface temperature at 363 K for Case 1, 373 K for Case 2, and 383 K for Case 3, respectively. The CCD camera monitored the morphology of ash deposit growth, and two type‐K thermocouples measured the temperature of the inner and outer surfaces of the deposition probe. Collected deposit samples were analyzed by scanning electron microscopy and X‐ray diffraction. The results showed that the primary substance of the deposited sediments was salammoniac (NH4Cl). The crystal granules of NH4Cl in the deposited sediment were disconnected, and they were denser under the lower surface temperatures. The deposited layer caused a declination in the heat flux through the deposition probe, and the lower surface temperature was more conducive to the growth of the deposition. This work contributes to a deeper understanding of the characteristics of NH4Cl deposition, which has practical utility in preventing the formation of the NH4Cl deposition in the precipitator and induced draft fans.
Numerical investigation of the effect of advance ignition timing on combustion process in direct injection rotary engine fueled with biodiesel
Authors: Otchere Peter , Pan Jianfeng , Fan Baowei , Chen Wei , Yao Lu , Jianxing Li
Published: October 2019

Biodiesel is a clean energy source that helps in the reduction of environmental pollution as compared to fossil fuel. This study aimed to improve the performance of combustion and reduce emission in direct injection rotary engine by fueling it with biodiesel as well as selecting the best ignition time. A 3D‐dynamic simulation model was established and then coupled with biodiesel chemical kinetics mechanism. On this basis, investigation of five ignition timings (IT) was conducted to know their various effects on combustion process. The simulation results showed that properly advancing IT increased in‐cylinder pressure, with the peak pressure (Pmax) of 35°CA (BTDC) IT of 45.99 bar the largest. Comparing IT of 35°CA (BTDC) with the IT of the original engine showed an 18.14% increase in peak pressure. The corresponding crank angle (φmax) for Pmax values also proved that when the IT was advanced, φmax values decreased and that of 35°CA (BTDC)‐10.37°CA (ATDC), 30°CA (BTDC)‐11.46°CA (ATDC), and 25°CA (BTDC)‐13.88°CA (ATDC) were better because they were generally between 10–15°CA (ATDC), which contributes to better engine performance. With advanced IT, phase of total period during combustion was continuously brought forward due to flame propagation acceleration by tumble as well as increase of tumble residence effect time that aided in improving the combustion rate. The burnt fuel mass fractions at TDC of 40°CA (BTDC) IT of 0.94 was the highest followed by 35°CA (BTDC) IT of 0.88. Under this computational condition, 35°CA (BTDC) was deemed to be the improved combustion scheme though soot exhaust increased.
A state of the art review of PV‐Trombe wall system: Design and applications
Authors: Ahmed Omer K. , Hamada Khalaf I. , Salih Abdulrazzaq M. , Daoud Raid W.
Published: October 2019

Global energy demand for the future can be met using renewable energy resources, and one of its harvesting tools is the photovoltaic (PV) technology. The combination of solar cell technology and Trombe wall is one of the most important research topics at present. PV‐Trombe walls are receiving great attention because of their applications for simultaneous electricity generation and heating. In this article, a review of available literature covers different designs of a PV‐Trombe wall system besides its thermal and electrical applications. The review covers in detail the influence of design and operational parameters including the glass cover, use of direct current fan, facade width, air vent, air gap thickness, thermal insulation, packing factor, coverage, heat storage, air mass flow rate, PV cell cooling, southern windows, and tilt angle of solar cell on the performance of PV‐Trombe walls. Furthermore, comparison between the PV‐Trombe wall system and classical Trombe wall as well as the applicability of this novel system are revealed. This review article is beneficial to engineers and researchers and can provide information for future studies.
Preparation of NiFe2O4/polythiophene nanocomposite and its enhanced adsorptive uptake of Janus green B and Fuchsin basic from aqueous solution: Isotherm and kinetics studies
Authors: Hussain Daud , Siddiqui M. Fuzail , Khan Tabrez A.
Published: October 2019

NiFe2O4/polythiophene nanocomposite was synthesized by in situ chemical oxidative polymerization of thiophene in NiFe2O4 nanoparticles presence, whereas NiFe2O4 nanoparticles were prepared via coprecipitation method. Fourier transform infrared (FTIR), X‐ray diffraction (XRD), UV–Visible, and SEM, EDX techniques were used for characterization of the nanocomposite. The effect of various parameters such as adsorbent dose, contact time, initial dye concentration, and initial pH of solution on the adsorption of Janus green B (JG) and Fuchsin basic (FB) onto the nanocomposite was optimized by batch studies. The equilibrium uptake data ascribed well to the Langmuir model with maximum adsorption capacity of 143 and 498 mg/g at 303 K for JG and FB, respectively. The exceptional high adsorption capacity of NiFe2O4/polythiophene nanocomposite for JG and FB was ascribed to π‐π and electrostatic interactions. Kinetics studies pointed out that JG and FB removal followed pseudo‐second order model. The negative values of ΔH° (JG: –47.28; FB: −38.00 kJ/mol) and ΔG° (JG: −9.347 to −6.442; FB: −14.16 to – 12.85 kJ/mol) pointed out the feasibility, spontaneity, and exothermic nature of removal process. Negative value of ΔS° (JG: –0.125; FB: –0.078 kJ/mol) suggested decrease in randomness at the solid/liquid interface. The results showed that NiFe2O4/polythiophene is an appealing adsorbent for the uptake of JG and FB dyes from aquatic environment.
Optimization and maximum efficiency of concentrating photovoltaic cell‐gas turbine system with spectrum splitting
Authors: Dang Liqin , Yang Zhimin , Lin Guoxing , Chen Jincan
Published: October 2019

The spectrum splitting system (SSS) is an efficient approach to relieve the energy losses in the solar cell and boost the efficiency of solar energy utilization. A model of the concentrated solar spectrum splitting photovoltaic (PV) cell‐gas turbine (GT) hybrid system is established to evaluate the performance of the system and predict the maximum efficiency. The numerical calculations show that the area ratio of the solar collector to the PV cell significantly affects the maximum efficiency of the spectrum system, but most of the previous studies are not considered. The maximum efficiency of the system is 50.6% when the parameters including the cell voltage, collector temperature, and band gap energy of the PV cell are optimized at the same areas of the collector and PV cell. The proposed SSS can achieve the maximum efficiency of 52.3% when the area ratio of the collector to the PV cell is further optimized. The results obtained are compared with those of a single concentrating PV cell or solar‐powered GT, and consequently, the advantages of a concentrating spectrum splitting PV cell‐GT hybrid system are revealed.
Techno‐economic feasibility analysis of integrating grid‐tied solar PV plant in a wind farm at Harapanahalli, India
Authors: Yendaluru Raja Sekhar , Karthikeyan Gautham , Jaishankar Aishwarya , Babu Sarath
Published: October 2019

Energy in different forms is required to drive a nation's growth and its sustenance. However, a significant issue that plagues the world is exploitation of fossil fuel negligently, for domestic and commercial requirements. The Government of India (GoI) has devised its renewable energy policies to encourage and promote the use of renewable energy sources in an efficient manner. In this paper, feasibility is explored for employing solar PV power generation at a wind power generation site through hybridization such that power production can be improved throughout the year. Simulation studies have been conducted for the site using RETScreen to analyze hybrid power generation at Harapanahalli in Karnataka, India. The wind farm has 18 wind turbine generator (WTG's) installed, having 2 MWe capacities each, producing 36 MWe supplied to the local grid. By using sun path and shadow analysis for the site, it is calculated that 344,531.25 m2 of shadow‐free space is available which can be suitably used for alternate methods of power generation. From the present analysis, it is predicted that annual power generation capacity of the site can be improved by about 90% on adopting hybrid power generation. The project cost is pegged at 188 crores Indian rupees (INR) and the payback period of the hybrid system was ascertained to be approximately 7 years.