bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gold Nanoparticles Supported on Poly(2,6‐dimethyl‐1,4‐phenylene oxide) as Robust, Selective and Cost‐Effective Catalyst for Aerobic Oxidation and Direct Oxidative Esterification of Alcohols
Authors: Buonerba Antonio , Noschese Annarita , Capacchione Carmine , Grassi Alfonso 
Published: April 2022

AbstractA new catalytic system based on gold nanoparticles (AuNPs) incarcerated in poly(2,6‐dimethyl‐1,4‐phenylene oxide) (PPO) matrix has been synthesized and successfully tested in aerobic oxidation of alkyl alcohols. PPO is a cheap and commercially available polymer, showing nanoporous morphology, high glass transition temperature (Tg =220 °C), semi‐crystallinity, excellent thermal stability, and interesting chemo‐physical properties. The synthesis of the AuNPs‐PPO catalyst is simple, cost‐effective and allows a fine control of the gold concentration, as well as an optimal dispersion of 7–8 nm sized AuNPs in the polymer matrix. AuNPs‐PPO is an efficient, robust and selective catalyst active in the aerobic oxidation and oxidative esterification of alcohols in water under mild reaction conditions (35 °C, atmospheric pressure of oxygen). The testing of AuNPs‐PPO in aerobic oxidation of 1‐phenylethanol to acetophenone, as a benchmark reaction, highlighted that this gold catalyst exhibits activity values among the highest so far reported for polymer‐supported AuNPs under mild reaction conditions. The oxidation of primary alcohols, such as benzyl and cinnamyl alcohols, could be addressed to the corresponding aldehyde or carboxylate derivatives. Alkyl cinnamates were obtained with efficiency in the one‐pot aerobic oxidation of cinnamyl alcohol in the presence of alkyl alcohols, such as n‐butanol or n‐hexanol. The role of the polymer matrix and the reaction conditions on both activity and selectivity of the AuNPs‐PPO catalyst were also investigated and discussed.
Overcoming Multidrug Resistance (MDR): Design, Biological Evaluation and Molecular Modelling Studies of 2,4‐Substituted Quinazoline Derivatives
Authors: Braconi Laura , Teodori Elisabetta , Contino Marialessandra , Riganti Chiara , Bartolucci Gianluca , Manetti Dina , Romanelli Maria Novella , Perrone Maria Grazia , Colabufo Nicola Antonio , Guglielmo Stefano , Dei Silvia 
Published: April 2022

AbstractSome 2,4‐disubstituted quinazolines were synthesized and studied as multidrug resistance (MDR) reversers. The new derivatives carried the quinazoline‐4‐amine scaffold found in modulators of the ABC transporters involved in MDR, as the TKIs gefitinib and erlotinib. Their behaviour on the three ABC transporters, P‐gp, MRP1 and BCRP, was investigated. Almost all compounds inhibited the P‐gp activity in MDCK‐MDR1 cells overexpressing P‐gp, showing EC50 values in the nanomolar range (1 d, 1 e, 2 a, 2 c, 2 e). Some compounds were active also towards MRP1 and/or BCRP. Docking results obtained by in silico studies on the P‐gp crystal structure highlighted common features for the most potent compounds. The P‐gp selective compound 1 e was able to increase the doxorubicin uptake in HT29/DX cells and to restore its antineoplastic activity in resistant cancer cells in the same extent of sensitive cells. Compound 2 a displayed a dual inhibitory effect showing good activities towards both P‐gp and BCRP.
Velocity‐resolved Laser‐induced Desorption for Kinetics on Surface Adsorbates
Authors: Papendorf Kim , Golibrzuch Kai , Zhong Tianli , Schwabe Sven , Kitsopoulos Theofanis N. , Wodtke Alec M. 
Published: April 2022

AbstractMost experimental methods for studying the kinetics of surface reactions – for example, temperature programmed desorption (TPD), molecular beam relaxation spectrometry (MBRS) and velocity‐resolved kinetics (VRK) – employ detection schemes that require thermal desorption. However, many adsorbates – for example reaction intermediates – never leave the surface under reaction conditions. In this paper, we present a new method to measure adsorbate concentrations on catalytic surfaces and demonstrate its utility for studying thermal desorption kinetics. After a short‐pulsed molecular beam deposits CO or NH3 on Pt (111), the surface is irradiated with an ultrashort laser pulse that induces desorption. Another tightly focused ultrashort laser pulse ionizes the gas‐phase molecules by a non‐resonant multiphoton process and the ions are detected. This two‐laser signal is then recorded as a function of time after the dosing molecular beam pulse and decays exponentially. First‐order thermal desorption rate constants are obtained over a range of temperatures and found to be in good agreement with past reports. Ion detection is done mass selectively with ion‐imaging, dispersing the gas phase molecules by their velocities. Since laser‐induced desorption (LID) produces hyperthermal gas phase molecules, they can be detected with little or no background. This approach is highly surface‐specific and exhibits sensitivity below 10−4 ML coverage. Because the signals are linearly proportional to adsorbate concentration, the method can be employed at lower temperatures than VRK, whose signal is proportional to reaction rate.
Pooled analysis on image‐guided moderately hypofractionated thoracic irradiation in inoperable node‐positive/recurrent patients with non–small cell lung cancer with poor prognostic factors and severely limited pulmonary function and reserve
Authors: Eze Chukwuka , Guggenberger Julian Elias , Schmidt‐Hegemann Nina‐Sophie , Kenndoff Saskia , Taugner Julian , Käsmann Lukas , Schönecker Stephan , Flörsch Benedikt , Li Minglun , Belka Claus , Manapov Farkhad 
Published: April 2022

BackgroundThe objective of this study was to investigate the feasibility and efficacy of image‐guided moderately hypofractionated thoracic radiotherapy (hypo‐IGRT) in patients with non–small cell lung cancer (NSCLC) with poor performance status and severely limited pulmonary function and reserve.MethodsConsecutive inoperable patients who had node‐positive, stage IIB‐IIIC (TNM, 8th edition) or recurrent NSCLC, had an Eastern Cooperative Oncology Group performance status ≥1, and had a forced expiratory volume in 1 second (FEV1) ≤1.0 L, had a single‐breath diffusing capacity of the lung for carbon monoxide (DLCO‐SB) ≤40% and/or on long‐term oxygen therapy were analyzed. All patients received hypofractionated IGRT to a total dose of 42.0 to 49.0 Gy/13 to 16 fractions (2.8‐3.5 Gy/fraction) (equivalent dose in 2‐Gy fractions/biologically effective dose [α/β = 10] = 45.5‐55.1 Gy/54.6‐66.2 Gy) alone. Patients were monitored closely for nonhematological toxicity, which was classified per National Cancer Institute Common Terminology Criteria for Adverse Events version 5.0.ResultsBetween 2014 and 2021, 47 consecutive patients with a median age of 72 years (range, 52.2‐88 years) were treated. At baseline, the median FEV1, vital capacity, and DLCO‐SB were 1.17 L (range, 0.69‐2.84 L), 2.34 L (range, 1.23‐3.74 L), and 35% predicted (range, 13.3%‐69.0%), respectively. The mean and median planning target volumes were 410.8 cc (SD, 267.1 cc) and 315.4 cc (range, 83.4‐1174.1 cc). With a median follow‐up of 28.9 months (range, 0.5‐90.6 months) after RT, the median progression‐free survival (PFS)/overall survival (OS) and 6‐ and 12‐month PFS/OS rates were 10.4 months (95% CI, 7‐13.8 months)/18.3 months (95% CI, 9.2‐27.4 months), 70%/89.4%, and 38.8%/66%, respectively. Treatment was well tolerated with only 1 case each of grade 3 pneumonitis and esophagitis. No toxicity greater than grade 3 was observed.ConclusionsPatients with inoperable node‐positive NSCLC, a poor performance status, and severely limited lung function can be safely and effectively treated with individualized moderately hypofractionated IGRT. The achieved survival rates for this highly multimorbid group of patients were encouraging.
Mortality among patients with low‐grade follicular lymphoma: A binational retrospective analysis
Authors: Rajamäki Aino , Hujo Mika , Sund Reijo , Prusila Roosa E. I. , Kuusisto Milla E. L. , Kuitunen Hanne , Jantunen Esa , Mercadal Santiago , Sorigue Marc , Sancho Juan‐Manuel , Sunela Kaisa , Kuittinen Outi 
Published: April 2022

BackgroundThe life expectancy of patients with follicular lymphoma (FL) has improved considerably since the introduction of rituximab. This study examined the proportion of deaths from progressive lymphoma and the impact of FL on survival compared with that in the general population.MethodsAltogether, 749 patients with grades 1 and 2 FL in 9 institutions between 1997 and 2016 were enrolled. Competing risk models were used to estimate the cumulative incidences of deaths from progressive lymphoma and from other reasons. Excess mortality was analyzed with respect to the corresponding background populations standardized for age and sex using the excess mortality model based on the penalized spline approach.ResultsThe median follow‐up duration was 69 months (range, 0‐226 months). The estimated 10‐year overall, disease‐specific, and net survival rates were 72.4%, 86.6%, and 86.4%, respectively. The cumulative incidence of deaths from progressive lymphoma was slightly smaller than that of other causes in the study population (estimated 10‐year cumulative incidences: 12.3% [95% CI, 9.6%‐15.3%] and 15.4% [95% CI, 12.2%‐18.8%], respectively). Excess mortality was observed for up to 10 years after diagnosis, and it slightly increased with time.ConclusionsDeaths from progressive lymphoma are nearly as common as deaths from other causes in FL patients during the rituximab era. Despite the improvements in survival, there was evidence of excess mortality resulting from FL for at least 10 years after diagnosis.
Oral florid papillomatosis: Topical treatment with 5% imiquimod in orabase
Authors: Ruiz‐Huertas Pedro , Borrego‐Luque Alicia , Toledano‐Valero Pilar , Manzotti Carolina , Rollón‐Mayordomo Ángel 
Published: April 2022

AbstractBackgroundFlorid oral papillomatosis is characterized by its tendency to local recurrence that requires multiple treatments, leading to important functional sequelae.MethodsWe present 74‐year‐old woman with oral florid papillomatosis (OFP) who refused a new surgical treatment, and was treated with imiquimod 5% in orabase on alternate days for 16 weeks. Treatment was complemented with application of hyaluronic acid gel.ResultsThere were no side effects to the treatment, nor signs of local recurrence, in the treated area at 2 years of follow‐up.ConclusionsAfter reviewing the literature and according to our knowledge, this is the first published case of oral florid papillomatosis treated topically with imiquimod 5% successfully. Topical treatment with imiquimod 5% in orabase may be a valid alternative for patients with recurrent OFP located in the anterior area of the oral cavity who refuse surgical treatment, although we must closely monitor the patient for the possibility of recurrence or malignant degeneration.
Deciphering the quality of SARS‐CoV‐2 specific T‐cell response associated with disease severity, immune memory and heterologous response
Authors: Pérez‐Gómez Alberto , Gasca‐Capote Carmen , Vitallé Joana , Ostos Francisco J. , Serna‐Gallego Ana , Trujillo‐Rodríguez María , Muñoz‐Muela Esperanza , Giráldez‐Pérez Teresa , Praena‐Segovia Julia , Navarro‐Amuedo María D. , Paniagua‐García María , García‐Gutiérrez Manuel , Aguilar‐Guisado Manuela , Rivas‐Jeremías Inmaculada , Jiménez‐León María Reyes , Bachiller Sara , Fernández‐Villar Alberto , Pérez‐González Alexandre , Gutiérrez‐Valencia Alicia , Rafii‐El‐Idrissi Benhnia Mohammed , Weiskopf Daniela , Sette Alessandro , López‐Cortés Luis F. , Poveda Eva , Ruiz‐Mateos Ezequiel ,   Virgen del Rocío Hospital COVID‐19 and COHVID‐GS Working Teams
Published: April 2022

AbstractSARS‐CoV‐2 specific T‐cell response has been associated with disease severity, immune memory and heterologous response to endemic coronaviruses. However, an integrative approach combining a comprehensive analysis of the quality of SARS‐CoV‐2 specific T‐cell response with antibody levels in these three scenarios is needed. In the present study, we found that, in acute infection, while mild disease was associated with high T‐cell polyfunctionality biased to IL‐2 production and inversely correlated with anti‐S IgG levels, combinations only including IFN‐γ with the absence of perforin production predominated in severe disease. Seven months after infection, both non‐hospitalised and previously hospitalised patients presented robust anti‐S IgG levels and SARS‐CoV‐2 specific T‐cell response. In addition, only previously hospitalised patients showed a T‐cell exhaustion profile. Finally, combinations including IL‐2 in response to S protein of endemic coronaviruses were the ones associated with SARS‐CoV‐2 S‐specific T‐cell response in pre‐COVID‐19 healthy donors’ samples. These results could have implications for protective immunity against SARS‐CoV‐2 and recurrent COVID‐19 and may help for the design of new prototypes and boosting vaccine strategies.
Performance analysis of intelligent reflecting surface aided full‐duplex amplify‐and‐forward relay networks
Authors: Nguyen Ba Cao , Manh Hoang Tran , Le Anh‐Tu , Nguyen Van Duan , Tran Phuong T. 
Published: April 2022

SummaryIt has been confirmed by many scientists and industrial experts that intelligent reflecting surface (IRS) should be one of the key enabling technologies for sixth‐generation (6G) wireless networks. This paper analyzes the performance of an IRS‐aided full‐duplex (FD) amplify‐and‐forward wireless relay (AFR) network, where the IRS is exploited to enhance the quality of the channel from the source to the relay. We successfully derive the analytical expressions of outage probability (OP), achievable data rate (ADR), and symbol error probability (SEP) of the considered IRS‐FD‐AFR network over Rayleigh fading channel. The corresponding expressions of the IRS‐aided half‐duplex (HD) AFR (IRS‐HD‐AFR) system are also derived as a benchmark to compare. The results demonstrate that the performance of both IRS‐FD‐AFR and IRS‐HD‐AFR systems are greatly improved by increasing the number of reflecting elements (
) in the IRS. All derived expressions are validated by Monte Carlo simulations.
Climate change linked to functional homogenization of a subtropical estuarine system
Authors: Pawluk Michaela , Fujiwara Masami , Martinez‐Andrade Fernando 
Published: April 2022

AbstractClimate change causes marine species to shift and expand their distributions, often leading to changes in species diversity. While increased biodiversity is often assumed to confer positive benefits on ecosystem functioning, many examples have shown that the relationship is specific to the ecosystem and function studied and is often driven by functional composition and diversity. In the northwestern Gulf of Mexico, tropical species expansion was shown to have increased estuarine fish and invertebrate diversity; however, it is not yet known how those increases have affected functional diversity. To address this knowledge gap, two metrics of functional diversity, functional richness (FRic) and functional dispersion (FDis), were estimated in each year for a 38‐year study period, for each of the eight major bays along the Texas coast. Then, the community‐weighted mean (CWM) trait values for each of the functional traits are calculated to assess how functional composition has changed through time. Finally, principal component analysis (PCA) was used to identify species contributing most to changing functional diversity. We found significant increases in log‐functional richness in both spring and fall, and significant decreases in functional dispersion in spring, suggesting that although new functional types are entering the bays, assemblages are becoming more dominated by similar functional types. Community‐weighted trait means showed significant increases in the relative abundance of traits associated with large, long‐lived, higher trophic level species, suggesting an increase in periodic and equilibrium life‐history strategists within the bays. PCA identified mainly native sciaenid species as contributing most to functional diversity trends although several tropical species also show increasing trends through time. We conclude that the climate‐driven species expansion in the northwestern Gulf of Mexico led to a decrease in functional dispersion due to increasing relative abundance of species with similar life‐history characteristics, and thus the communities have become more functionally homogeneous.
Evolution of assortative mating following selective introgression of pigmentation genes between two Drosophila species
Authors: David Jean R. , Ferreira Erina A. , Jabaud Laure , Ogereau David , Bastide Héloïse , Yassin Amir 
Published: April 2022

AbstractAdaptive introgression is ubiquitous in animals, but experimental support for its role in driving speciation remains scarce. In the absence of conscious selection, admixed laboratory strains of Drosophila asymmetrically and progressively lose alleles from one parental species and reproductive isolation against the predominant parent ceases after 10 generations. Here, we selectively introgressed during 1 year light pigmentation genes of D. santomea into the genome of its dark sibling D. yakuba, and vice versa. We found that the pace of phenotypic change differed between the species and the sexes and identified through genome sequencing common as well as distinct introgressed loci in each species. Mating assays showed that assortative mating between introgressed flies and both parental species persisted even after 4 years (~60 generations) from the end of the selection. Those results indicate that selective introgression of as low as 0.5% of the genome can beget morphologically distinct and reproductively isolated strains, two prerequisites for the delimitation of new species. Our findings hence represent a significant step toward understanding the genome‐wide dynamics of speciation‐through‐introgression.
Environmental drivers and spatial scaling of species abundance distributions in Palaearctic grassland vegetation
Authors: Ulrich Werner , Matthews Thomas J. , Biurrun Idoia , Campos Juan Antonio , Czortek Patryk , Dembicz Iwona , Essl Franz , Filibeck Goffredo , del Galdo Gian‐Pietro Giusso , Güler Behlül , Naqinezhad Alireza , Török Péter , Dengler Jürgen 
Published: April 2022

AbstractSpecies abundance distributions (SADs) link species richness with species abundances and are an important tool in the quantitative analysis of ecological communities. Niche‐based and sample‐based SAD models predict different spatial scaling properties of SAD parameters. However, empirical research on SAD scaling properties is largely missing. Here we extracted percentage cover values of all occurring vascular plants as proxies of their abundance in 1725 10‐m2plots from the GrassPlot database, covering 47 regional data sets of 19 different grasslands and other open vegetation types of the Palaearctic biogeographic realm. For each plot, we fitted the Weibull distribution, a model that is able to effectively mimic other distributions like the log‐series and lognormal, to the species–log abundance rank order distribution. We calculated the skewness and kurtosis of the empirical distributions and linked these moments, along with the shape and scale parameters of the Weibull distribution, to plot climatic and soil characteristics. The Weibull distribution provided excellent fits to grassland plant communities and identified four basic types of communities characterized by different degrees of dominance. Shape and scale parameter values of local communities on poorer soils were largely in accordance with log‐series distributions. Proportions of subdominant species tended to be lower than predicted by the standard lognormal SAD. Successive accumulation of plots of the same vegetation type yielded nonlinear spatial scaling of SAD moments and Weibull parameters. This scaling was largely independent of environmental correlates and geographic plot position. Our findings caution against simple generalizations about the mechanisms that generate SADs. We argue that in grasslands, lognormal‐type SADs tend to prevail within a wider range of environmental conditions, including more extreme habitats such as arid environments. In contrast, log‐series distributions are mainly restricted to comparatively species‐rich communities on humid and fertile soils.
Floral shape predicts bee–parasite transmission potential
Authors: Pinilla‐Gallego Mario S. , Ng Wee Hao , Amaral Victoria E. , Irwin Rebecca E. 
Published: April 2022

AbstractThe spread of parasites is one of the primary drivers of population decline of both managed and wild bees. Several bee parasites are transmitted by the shared use of flowers, turning floral resources into potential disease hotspots. However, we know little about how floral morphology and floral species identity affect different steps of the transmission process. Here, we used the gut parasite Crithidia bombi and its primary host, bumble bees (Bombus spp.), to examine whether floral traits or species identity better predict three basic steps of parasite transmission on flowers: feces deposition on flowers, survival of the parasite on flowers, and acquisition by a new host. We also identified which traits and/or species were most strongly associated with each step in the transmission process. We found that both trait‐ and species‐based models fit the data on deposition of feces and survival of C. bombi on flowers, but that species‐based models provided a better fit compared with trait‐based ones. However, trait‐based models were better at predicting the acquisition of C. bombi on flowers. Although different species tended to support higher fecal deposition or parasite survival, we found that floral shape provided explanatory power for each of the transmission steps. When we assessed overall transmission potential, floral shape had the largest explanatory effect, with wider, shorter flowers promoting higher transmission. Taken together, our results highlight the importance of flower species identity and floral traits in disease transmission dynamics of bee parasites, and floral shape as an important predictor of overall transmission potential. Identifying traits associated with transmission potential may help us create seed mix that presents lower parasite transmission risk for bees for use in pollinator habitat.
113Cd as a Probe in NMR Studies of Allosteric Host‐Guest‐Ligand Complexes of Porphyrin Cage Compounds
Authors: Bruekers Jeroen P. J. , Hellinghuizen Matthijs A. , Swartjes Anne , Tinnemans Paul , White Paul B. , Elemans Johannes A. A. W. , Nolte Roeland J. M. 
Published: April 2022

AbstractCadmium porphyrin cage compounds Cd1 and 113Cd1 have been synthesized from the free base porphyrin cage derivative H21 and Cd(OAc)2 ⋅ 2 H2O or 113Cd(OAc)2 ⋅ 2 H2O, respectively. The compounds form allosteric complexes with the positively charged guests N,N′‐dimethylimidazolium hexafluorophosphate (DMI) and N,N′‐dimethylviologen dihexafluorophosphate (Me2V), which bind in the cavity of the cage, and tbupy, which coordinates as an axial ligand to the outside of the cage. In the presence of tbupy, the binding of DMI in Cd1 is enhanced by a factor of ∼31, while the presence of DMI or Me2V in the cavity of Cd1 enhances the binding of tbupy by factors of 55 and 85, respectively. The X‐ray structures of the coordination complexes of Cd1 with acetone, acetonitrile, and pyridine, the host‐guest complex of Cd1 with a bound viologen guest, and the ternary allosteric complex of Cd1 with a bound DMI guest and a coordinated tbupy ligand, were solved. These structures revealed relocations of the cadmium center in and out of the porphyrin plane, depending on whether a guest or a ligand is present. 113Cd NMR could be employed as a tool to quantify the binding of guests and ligands to 113Cd1. 1D EXSY experiments on the ternary allosteric system Cd1‐tbupy‐Me2V revealed that the coordination of tbupy significantly slowed down the dissociation of the Me2V guest. Eyring plots of the dissociation process revealed that this kinetic allosteric effect is entropic in nature.