bluuebunny/crossref_metadata_2025_split huggingface dataset:
2,2′‐Bipyridine containing chelating polymers for sequestration of heavy metal ions from organic solvents
Authors: Goyal Shivani , Jacob Josemon 
Published: January 2022

AbstractIn this study, a new chelating polymer, poly‐N‐([2,2′‐bipyridine]‐4‐yl)methacrylamide (PBpyMA), was designed and synthesized for the sequestration of heavy metal ions from organic solvents. Free radical polymerization of N‐([2,2′‐bipyridine]‐4‐yl) methacrylamide (BpyMA) generated a linear polymer with an Mw of ~43.9 kg/mol, which is found to be soluble in organic solvents such as DMF, THF, and DMSO. Thermogravimetric analysis for the polymer showed high thermal stability up to 285°C. The ability of the polymer PBpyMA to sequestrate different heavy metal ions was studied by using UV–vis spectroscopy and ICP‐MS. The polymer is found to efficiently complex Fe3+, Co2+, Ni2+, Cu2+, Zn2+, and Cd2+ with absorption capacity in the range of 1.7–2.5 mmol/g. Kinetic studies revealed that the maximum removal of metal ions could be achieved within an hour at room temperature. FESEM‐EDX micrographs confirmed the formation of an interconnected crosslinked macroporous structure upon polymer‐metal complexation. Our studies suggest that PBpyMA bearing chelating bipyridine repeat units is a highly effective chelating material with significant potential for removing metal ions from organic solvents.
Toward an evolutionary framework for language variation and change
Authors: Ladoukakis Emmanuel D. , Michelioudakis Dimitris , Anagnostopoulou Elena 
Published: January 2022

AbstractIn this paper, we identify the parallels and the differences between language and life as evolvable systems in pursuit of a framework that will investigate language change from the perspective of a general theory of evolution. Despite the consensus that languages change similarly to species, as reflected in the construction of language trees, the field has mainly applied biological techniques to specific problems of historical linguistics and has not systematically engaged in disentangling the basic concepts (population, reproductive unit, inheritance, etc.) and the core processes underlying evolutionary theory, namely mutation, selection, drift, and migration, as applied to language. We develop such a proposal. Treating language as an evolvable system places previous studies in a novel perspective, as it offers an elegant unifying framework that can accommodate current knowledge, utilize the rich theoretical framework of evolutionary biology, and synthesize many independent strands of inquiry, initiating a whole new research program.
The sorption/chromatography hypothesis of olfactory discrimination: The rise, fall, and rebirth of a Phoenix
Authors: Coppola David M. 
Published: January 2022

AbstractHerein, I discuss the enduring mystery of the receptor layout in the vertebrate olfactory system. Since the awarding of the 2004 Nobel Prize to Axel and Buck for their discovery of the gene family that encodes olfactory receptors, our field has enjoyed a golden era. Despite this Renaissance, an answer to one of the most fundamental questions for any sensory system—what is the anatomical logic of its receptor array?—eludes us, still, for olfaction! Indeed, the only widely debated hypothesis, finding its origins in the musing of another Nobel laureate Sir Edgar Adrian, has it that the vertebrate nose organizes its receptors according to the “sorptive” properties of their ligands. This idea, known as the “sorption” or “chromatography” hypothesis, enjoys considerable support despite being controversial. Here, I review the history of the hypothesis—its rises and falls—and discuss the latest data and future prospects for this perennial idea whose history I liken to the mythical Phoenix.
The validity of progression‐free survival 2 as a surrogate trial end point for overall survival
Authors: Woodford Rachel G. , Zhou Deborah D.‐X. , Kok Peey‐Sei , Lord Sally J. , Friedlander Michael , Marschner Ian C. , Simes R. John , Lee Chee Khoon 
Published: January 2022

BackgroundOverall survival (OS) is the gold‐standard end point for oncology trials. However, the availability of multiple therapeutic options after progression and crossover to receive investigational agents confound and delay OS data maturation. Progression‐free survival 2 (PFS‐2), defined as the time from randomization to progression on first subsequent therapy, has been proposed as a surrogate for OS. Using a meta‐analytic approach, the authors aimed to assess the association between OS and PFS‐2 and compare this with progression‐free survival 1 (PFS‐1) and the objective response rate (ORR).MethodsAn electronic literature search was performed to identify randomized trials of systemic therapies in advanced solid tumors that reported PFS‐2 as a prespecified end point. Correlations between OS and PFS‐2, OS and PFS‐1, and OS and ORR as hazard ratios (HRs) or odds ratios (ORs) were assessed via linear regression weighted by trial size.ResultsThirty‐eight trials were included, and they comprised 19,031 patients across 8 tumor types. PFS‐2 displayed a moderate correlation with OS (r = 0.67; 95% confidence interval [CI], 0.08‐0.69). Conversely, correlations of ORR (r = 0.12; 95% CI, 0.00‐0.13) and PFS‐1 (r = 0.21; 95% CI, 0.00‐0.33) were poor. The findings for PFS‐2 were consistent for subgroup analyses by treatment type (immunotherapy vs nonimmunotherapy: r = 0.67 vs 0.67), survival post progression (<12 vs ≥12 months: r = 0.86 vs 0.79), and percentage not receiving subsequent treatment (<50% vs ≥50%: r = 0.70 vs 0.63).ConclusionsAcross diverse tumors and therapies, the treatment effect on PFS‐2 correlated moderately with the treatment effect on OS. PFS‐2 performed consistently better than PFS‐1 and ORR, regardless of postprogression treatment and postprogression survival. PFS‐2 should be included as a key trial end point in future randomized trials of solid tumors.
Synthesis of Photocorrosion‐Resistant VS4‐MoS2‐rGO Based Nanocomposite with Efficient Photoelectrochemical Water‐Splitting Activity
Authors: Tiwari Shalini , Jhamb Neha , Kumar Sandeep , Ganguli Ashok Kumar 
Published: January 2022

AbstractFor increasing demands of clean and sustainable energy, two‐dimensional transition‐metal dichalcogenides (2D‐TMDs) have attracted great attention. Electrocatalysis, photoelectrochemical water splitting and photovoltaic activities are considered a suitable route for fulfilling this demand. Here, we have used hydrothermally synthesized vanadium sulfide (VS4) and molybdenum disulfide (MoS2) composite heterostructures for photocatalytic based renewable energy production. The catalytic activity of VS4 observed for the water splitting process makes it a potential candidate for the applications. At the same time, it suffers from photogenerated charge recombination and photocorrosion which limits its catalytic performances. The key motivation of this work was to diminish the charge recombination via appropriate composite formation with MoS2 as well as to minimize the photocorrosion of resulting materials with the support of reduced graphene oxide (rGO). Eventually, separation of photogenerated charge carriers and anti‐photocorrosion property of the VS4‐MoS2‐rGO based composite leads to its efficient catalyst for photocatalytic water splitting applications. The resulting composite shows 4.5 times higher catalytic activity and stability than bare constituent materials.
Poly(arylisocyanides) as Versatile, Enantiodiscriminating Alignment Media for Small Molecules
Authors: Wesp Svenja , Wolf Kai , Immel Stefan , Reggelin Michael 
Published: January 2022

AbstractLyotropic liquid crystalline (LLC) phases of amino acid derived polyarylisocyanides were employed as chiral alignment media for the measurement of residual dipolar couplings (RDCs) of small chiral organic molecules. Anisotropic samples in CDCl3 displayed quadrupolar splittings of the deuterium signal in the range of several hundreds of Hertz. The LLC phases showed excellent orienting properties for a broad range of analytes bearing various functional groups. The precise extraction of RDCs in the range of up to ±40 Hertz from F2‐coupled HSQC spectra was possible. Additionally, the chiral environment offers the opportunity for diastereomorphous interactions with the enantiomers of chiral analytes leading to two different sets of RDCs. This differential order effect was particularly pronounced with ketones and alcohols.
Positive beliefs about worry: An evaluation of the Why Worry‐II questionnaire in patients with anxiety and mood disorders: Implications for theory and treatment
Authors: Warren Ricks , Yu Elizabeth 
Published: January 2022

AbstractPositive beliefs about worry are an important factor that has been shown to be associated with the reduction of worry severity with cognitive behavioural therapy. The present study evaluated the psychometric properties of a measure of positive beliefs about worry, the Why Worry Questionnaire II (WW‐II; Hebert et al., 2014, 0.1016/j.paid.2013.08.009) with a clinical sample. The present study also compared mean scores on the WW‐II in the present clinical sample with scores found in non‐clinical samples. Finally, the study compared mean scores on the WW‐II between groups with primary diagnoses of generalized anxiety disorder (GAD), major depressive disorder (MDD) and anxiety disorder not otherwise specified (NOS). The confirmatory factor analysis found the five‐factor model an adequate to good fit to the data, and the WW‐II demonstrated excellent internal consistency within this clinical sample. Additionally, scores on the WW‐II in the present sample were significantly higher than scores found by in their non‐clinical sample. Finally, no significant mean differences were found between primary diagnoses of GAD, anxiety disorder NOS or MDD. Important theoretical and clinical implications and suggestions for future research are discussed.
Metabolomics‐driven determination of targets for salicylic acid and ibuprofen in positive electrospray ionization using LC‐HRMS
Authors: Pasin Daniel , Pan Meiru , Rasmussen Brian Schou , Linnet Kristian , Dalsgaard Petur Weihe , Mollerup Christian Brinch 
Published: January 2022

AbstractDue to the large number of basic therapeutic and illicit drugs, systematic toxicological analysis has widely been performed with liquid chromatography coupled to mass spectrometry using positive electrospray ionization. However, there exist a smaller number of drugs, typically acidic drugs, which require the use of negative electrospray ionization either via a separate analysis or polarity switching. Here, targets relating to salicylic acid and ibuprofen in positive electrospray ionization were determined through a metabolomics‐driven retrospective investigation of forensic casework. Samples were previously screened using liquid chromatography coupled with high‐resolution mass spectrometry with quantification of target analytes performed using liquid chromatography with tandem mass spectrometry. Of the 1,717 whole‐blood samples submitted between 2014 and 2019, 48 were positive for salicylic acid (1.1–1,400 mg/kg) and 78 for ibuprofen (1–46 mg/kg). Based on the retrospective analysis, 19 and 90 targets were identified for salicylic acid and ibuprofen, respectively. For targets of salicylic acid, the protonated adduct of salicyluric acid ([M + H]+, m/z 196.0605) was present in 89.6% (n = 32) of the salicylic acid positive cases, while the [M + HCOOH + CH3CN + Ca ‐ H]+ adduct (m/z 264.0179) of salicylic acid was present in all positive samples with concentrations above 66 mg/kg salicylic acid. Similarly, the [M + 2Na ‐ H]+ adduct (m/z 251.1018) of ibuprofen was present in 98.7% (n = 77) of positive cases and was present in all samples with concentrations above 3 mg/kg ibuprofen.
Organobimetallic Nickel‐Iron Complexes, Valence Tautomer or Charge Localized Ferrocene Ligands Upon Oxidation
Authors: Ringenberg Mark R. , Schnierle Marc , Sondermann Christina 
Published: January 2022

Abstract[[CpNi(dRpf)]+ (dRpf=1,1’‐bis(di‐R‐phosphino)ferrocene, R=phenyl (dppf) [1]+, iso‐propyl (dippf) [2]+, and cyclohexyl (dcpf) [3]+), CpNi(dRpf)]+(dRpf=1,1’‐bis(di‐R‐phosphino)ferrocene, R=phenyl (dppf) [1]+, iso‐propyl (dippf) [2]+, and cyclohexyl (dcpf) [3]+), showed two reversible electrochemical processes, one cathodic and one anodic in the cyclic voltammogram. CpNiI was generated in the cathodic processes for all three complexes, while spectroscopic data and dft analysis for the anodic process suggested contributions from the ferrocene, there was some degree of delocalization onto the Ni ion.
Forecast evaluation of DSGE models: Linear and nonlinear likelihood
Authors: Chin Kuo‐Hsuan 
Published: January 2022

AbstractWe apply a Bayesian approach to estimate a small‐scale New Keynesian Dynamic Stochastic General Equilibrium (DSGE) model, solved by linear and nonlinear solution techniques. In particular, the likelihood function for the linearized and nonlinearized models is approximated via the linear and two types of nonlinear filters, respectively. We evaluate the performance of the linearized/nonlinearized model in terms of the log marginal data density and out‐of‐sample forecasting exercise over the transition periods of “Great Inflation” to “Great Moderation” (GI‐GM) and “Great Moderation” to “Great Recession” (GM‐GR). Several results are found as follows. First, it is not clear whether the nonlinearized DSGE model has a better fit than a linearized one to the full sample, and the result is also applied over the transition period of GI‐GM when we compute the time‐varying marginal data density. Second, under the point forecast evaluation, we do not find any statistical evidence that the forecasting performance of DSGE models, either the linearized or nonlinearized one, is better than the VAR models on predicting GDP growth rate, inflation, and interest rates over two transition periods. Moreover, the forecast errors for three data series calculated from either the individual model or the case of “Aggregation across models” in “ Normal” period are significantly lower than those in “ Crisis” period. Third, under the density forecast evaluation across DSGE models, we do not find any significant difference on the sum of log predictive likelihood across models at all forecast horizons for three individual data series. In particular, the above results are also applied to two transition periods and real‐time data sets.
LA‐ICP‐MS zircon U–Pb age, whole‐rock geochemistry, Sr–Nd–Pb isotope, and zircon Hf isotope constraints on the origin and dynamic setting of Mesozoic mafic dykes, Henan Province, southeastern North China Craton
Authors: Liu Shen , Feng Caixia , Coulson Ian M. , Fan Yan , Zhao Huibo , Xu Jingyan , Tai Kairui 
Published: January 2022

Mafic dykes from the Henan Province within the southeastern North China Craton (NCC) were sampled. Herein, we present new zircon laser ablation‐inductively coupled plasma‐mass spectrometry U–Pb age, whole‐rock geochemical, Sr–Nd–Pb isotopic, and zircon Hf isotopic data for the five areas where these mafic dykes outcrop. The mafic dykes are all dolerite and were emplaced between 121.6 ± 1.1 Ma and 131.7 ± 1.2 Ma. These are characterized by enrichment in some of the large‐ion lithophile elements (e.g., Rb, Ba, Th, U, K, and Sr), light rare earth elements, and depletion in high‐field‐strength elements (Nb, Ta, Hf, and Ti) and Eu (Eu/Eu* is between 0.62 and 0.96) relative to chondrite‐ and primitive mantle‐values. The dykes have high initial Sr isotopic ratios ([87Sr/86Sr]i = 0.7056–0.7058), negative εNd (t) ratios (−12.3 to −12.1), relatively constant Pb isotopic ratios ([206Pb/204Pb]i = 16.771–16.778; [207Pb/204Pb]i = 15.461–15.467; [208Pb/204Pb]i = 36.850–36.857), negative εHf (t) (−14.9 to −3.5), as well as old Nd (TDM2; 2.22–2.54 Ga) and Hf (TDM2; 2.99–4.34 Ga) model ages. These geochronological, geochemical, and isotopic data indicate that the investigated Henan Province dykes were likely derived from magmas generated by low to moderate degree partial melting (1.0–10%) of an EM1‐like garnet lherzolite mantle source. Moreover, the mafic melts fractionated olivine, clinopyroxene, plagioclase, Ti‐bearing oxides (e.g., ilmenite, titanite, apatite, etc.) prior to emplacement, and assimilated only minimal amounts of crustal material. Several possible models have previously been proposed to explain the origin of Mesozoic magma activities in Henan Province. However, here we propose a foundering model for the mafic dykes studied, involving the foundering of eclogite from thickened lower crust due to the collision between the Yangtze Block, Qinling ocean crust, and southeastern NCC.
Financial decision‐making and self‐awareness for financial decision‐making is associated with white matter integrity in older adults
Authors: Sunderaraman Preeti , Gazes Yunglin , Ortiz Gema , Langfield Christopher , Mensing Ashley , Chapman Silvia , Joyce Jillian L. , Brickman Adam M. , Stern Yaakov , Cosentino Stephanie 
Published: January 2022

AbstractFinancial decision‐making (FDM) and awareness of the integrity of one's FDM abilities (or financial awareness) are both critical for preventing financial mistakes. We examined the white matter correlates of these constructs and hypothesized that the tracts connecting the temporal–frontal regions would be most strongly correlated with both FDM and financial awareness. Overall, 49 healthy older adults were included in the FDM analysis and 44 in the financial awareness analyses. The Objective Financial Competency Assessment Inventory was used to measure FDM. Financial awareness was measured by integrating metacognitive ratings into this inventory and was calculated as the degree of overconfidence or underconfidence. Diffusion tensor imaging data were processed with Tracts Constrained by Underlying Anatomy distributed as part of the FreeSurfer analytic suite, which produced average measures of fractional anisotropy and mean diffusivity in 18 white matter tracts along with the overall tract average. As expected, FDM showed the strongest negative associations with average mean diffusivity measure of the superior longitudinal fasciculus ‐temporal (SLFT; r = −.360, p = .011) and ‐parietal (r = −.351, p = .014) tracts. After adjusting for FDM, only the association between financial awareness and average mean diffusivity measure of the right SLFT (r = .310, p = .046) was significant. Overlapping white matter tracts were involved in both FDM and financial awareness. More importantly, these preliminary findings reinforce emerging literature on a unique role of right hemisphere temporal connections in supporting financial awareness.
Maxwell nanofluid heat and mass transfer analysis over a stretching sheet
Authors: Santhi M. , Suryanarayana Rao K. V. , Sreedevi P. , Sudarsana Reddy P. 
Published: January 2022

AbstractThe Buongiorno model Maxwell nanofluid flow, heat and mass transfer characteristics over a stretching sheet with a magnetic field, thermal radiation, and chemical reaction is numerically investigated in this analysis. This model incorporates the effects of Brownian motion and thermophoresis. The governing partial differential equations are transformed into a coupled nonlinear ordinary differential equation by using the similarity transformation technique. The resultant nonlinear differential equations are solved by using the Finite element method. The sketches of velocity, temperature and concentration with diverse values of magnetic field parameter (0.1 ≤ M ≤ 1.5), Deborah number (0.0 ≤ β ≤ 0.19), radiation parameter (0.1 ≤ R ≤ 0.7), Prandtl number (0.5 ≤ Pr ≤ 0.8), Brownian motion parameter (0.1 ≤ Nb ≤ 0.7), thermophoretic parameter (0.2 ≤ Nt ≤ 0.8), Chemical reaction parameter (1.0 ≤ Cr ≤ 2.5) and Lewis number (1.5 ≤ Le ≤ 3.0) have investigated and are depicted through plots. Moreover, the values of the Skin‐friction coefficient, Nusselt number, and Sherwood numbers are also computed and are shown in tables. The sequels of this analysis reviewed that the values of Skin‐friction coefficient and Sherwood number intensified with hiked values of Deborah number (β), whereas, the values of Nusselt number decelerate as values of (β) improves.
Thermal radiation and diffusion effects in MHD Williamson and Casson fluid flows past a slendering stretching surface
Authors: Saravana R. , Hemadri Reddy R. , Narasimha Murthy K. V. , Makinde O. D. 
Published: January 2022

AbstractThe article is presented to analyze the magnetohydrodynamic Casson and Williamson fluids flow over a stretched surface of variable thickness by including the conditions of thermal radiation, velocity slip, temperature, and concentration slip. The equations governing the flow characteristics are transformed to ordinary differential equations by applying similarity transformations. The solution of the simplified equations is obtained by the numerical bvp5c Matlab package. The behavior for Williamson and Casson fluid cases is explored and discussed with the impact of sundry parameters on the flowing fluid, thermal, and diffusion fields. The profiles under the impact of parameters are depicted through graphs. Also, we evaluated the performance of local Nusselt and Sherwood numbers along with the friction of the wall and are displayed through tables. We found that the temperature and mass transfer distribution is low in Williamson fluid when compared to Casson fluid flow. The computed results indicate that the flow, thermal and concentration boundary layer characteristics of Williamson and Casson fluids are not unique.
Oil price volatility and stock returns: Evidence from three oil‐price wars
Authors: Khan Mushtaq Hussain , Ahmed Junaid , Mughal Mazhar , Khan Imtiaz Hussain 
Published: January 2022

AbstractThis study examines how crude oil price volatility affected the stock returns of major global oil and gas corporations during three major oil‐price wars that took place between October 1991 and June 2020. Episodes considered include the 1998 Saudi Arabia – Venezuela war, the 2014–2016 conflict and the 2020 Saudi Arabia – Russia war in a time of unprecedented crisis caused by the COVID‐19 pandemic. The persistence of volatility in oil prices during times of specific oil‐price wars is captured through generalized autoregressive conditional heteroscedasticity (GARCH) model while the leverage effect is tested using the threshold generalized autoregressive conditional heteroscedasticity (T‐GARCH) model. Moreover, a vector autoregressive (VAR) model is employed to consider the relationship between oil price shocks and stock returns of oil and gas corporations. Our findings reveal a significant evidence for volatility persistence and leverage effects in oil price during the three oil‐price wars. These findings are consistent for WTI as well as Brent crude oil specifications. Though the persistence of volatility is similar to that of the previous two oil‐price wars, the 2020 Saudi Arabia – Russia oil‐price war has higher volatility spikes than the previous two wars. Besides, oil price shocks have a significant and positive effect on the returns of oil and gas companies. These findings provide investors information on how volatility in global oil prices is also sensitive to irregular events such as price wars between oil producers. This information can be important for economic agents contemplating shorter hedges by managing risks during times of high volatility.