bluuebunny/crossref_metadata_2025 huggingface dataset:
A Bayesian hierarchical model for estimating national PFAS drinking water occurrence
Authors: Cadwallader Adam , Greene Ashley , Holsinger Hannah , Lan Alexis , Messner Michael , Simic Melissa , Albert Ryan
Published: May 2022

Per‐ and polyfluoroalkyl substances (PFAS) in U.S. drinking water are currently a significant topic of public health concern. Data collection efforts have been undertaken to better understand PFAS occurrence, though limited data observed above reporting limits leaves considerable uncertainty. This work presents a hierarchical Bayesian model developed to estimate national PFAS occurrence in drinking water with a simple model structure and assumptions. Here the model is limited to the occurrence of perfluorooctanoic acid (PFOA), perfluorooctanesulfonic acid (PFOS), perfluorohexanesulfonic acid (PFHxS), and perfluoroheptanoic acid (PFHpA). This model estimates national PFAS exposure while capturing uncertainty, provides information on system‐level PFAS co‐occurrence, and creates an expandable foundation for generating future national estimates of PFAS occurrence. National estimates based on currently available data and model assumptions indicated population‐weighted mean exposure to the sum of mean PFOS, PFOA, PFHpA, and PFHxS around 4.7–5.2 ppt while all four chemicals generally had moderate‐to‐strong correlations among system‐level means.
CO Hydrogenation to Methanol over Cu/MgO Catalysts and Their Synthesis from Amorphous Magnesian Georgeite Precursors
Authors: Behrendt Gereon , Mockenhaupt Benjamin , Prinz Nils , Zobel Mirijam , Ras Erik‐Jan , Behrens Malte
Published: May 2022

The synthesis of Mg‐substituted copper hydroxycarbonates by constant‐pH co‐precipitation with subsequent ageing of the precipitate has been studied in detail. This allowed the retrieval of crystalline magnesian malachite samples, which showed a “radical‐sign‐shaped” pH drop and the blue/green color change during ageing that is well‐known from the analogous Cu/Zn system. The crystallization of Cu‐rich samples has been studied elaborately by means of powder diffraction, pair distribution function (PDF), and infrared spectroscopy, thus elucidating the ageing chemistry of Cu,Mg hydroxycarbonates in general. It was found that up to 17 % Mg can be incorporated into the crystalline malachite using a synthesis route comparable to that established for Cu/ZnO catalysts, but with drastically elongated precipitate ageing times. For higher Mg contents, a step‐like pH drop was observed instead, and an amorphous variant of the hydroxycarbonate, referred to as “magnesian georgeite”, could be isolated. From such a Mg‐rich sample (Cu/Mg 70 : 30 at. %), a Cu/MgO catalyst has been prepared that shows high activity and good stability in CO hydrogenation to methanol over 800 hrs. time on stream.
Opening of the Diamondoid Cage upon Ionization Probed by Infrared Spectra of the Amantadine Cation Solvated by Ar, N2, and H2O
Authors: George Martin Andreas Robert , Dopfer Otto
Published: May 2022

Radical cations of diamondoids, a fundamental class of very stable cyclic hydrocarbon molecules, play an important role in their functionalization reactions and the chemistry of the interstellar medium. Herein, we characterize the structure, energy, and intermolecular interaction of clusters of the amantadine radical cation (Ama+, 1‐aminoadamantane) with solvent molecules of different interaction strength by infrared photodissociation (IRPD) spectroscopy of mass‐selected Ama+Ln clusters, with L=Ar (n≤3) and L=N2 and H2O (n=1), and dispersion‐corrected density functional theory calculations (B3LYP−D3/cc‐pVTZ). Three isomers of Ama+ generated by electron ionization are identified by the vibrational properties of their rather different NH2 groups. The ligands bind preferentially to the acidic NH2 protons, and the strength of the NH…L ionic H‐bonds are probed by the solvation‐induced red‐shifts in the NH stretch modes. The three Ama+ isomers include the most abundant canonical cage isomer (I) produced by vertical ionization, which is separated by appreciable barriers from two bicyclic distonic iminium ions obtained from cage‐opening (primary radical II) and subsequent 1,2 H‐shift (tertiary radical III), the latter of which is the global minimum on the Ama+ potential energy surface. The effect of solvation on the energetics of the potential energy profile revealed by the calculations is consistent with the observed relative abundance of the three isomers. Comparison to the adamantane cation indicates that substitution of H by the electron‐donating NH2 group substantially lowers the barriers for the isomerization reaction.
Triplet‐triplet Annihilation Dynamics of Naphthalene
Authors: Gudem Mahesh , Kowalewski Markus
Published: May 2022

Triplet‐triplet annihilation (TTA) is a spin‐allowed conversion of two triplet states into one singlet excited state, which provides an efficient route to generate a photon of higher frequency than the incident light. Multiple energy transfer steps between absorbing (sensitizer) and emitting (annihilator) molecular species are involved in the TTA based photon upconversion process. TTA compounds have recently been studied for solar energy applications, even though the maximum upconversion efficiency of 50 % is yet to be achieved. With the aid of quantum calculations and based on a few key requirements, several design principles have been established to develop the well‐functioning annihilators. However, a complete molecular level understanding of triplet fusion dynamics is still missing. In this work, we have employed multi‐reference electronic structure methods along with quantum dynamics to obtain a detailed and fundamental understanding of TTA mechanism in naphthalene. Our results suggest that the TTA process in naphthalene is mediated by conical intersections. In addition, we have explored the triplet fusion dynamics under the influence of strong light‐matter coupling and found an increase of the TTA based upconversion efficiency.
Photo‐Induced Halogen‐Atom Transfer: Generation of Halide Radicals for Selective Hydrohalogenation Reactions
Authors: Geniller Lilian , Taillefer Marc , Jaroschik Florian , Prieto Alexis
Published: May 2022

The first photo‐mediated process enabling the generation of halide radicals by Halogen‐Atom Transfer (XAT) is described. Contrary to radical transformations involving XAT reactivity, which exploit stable carbon radicals, this unique approach uses 1,2‐dihaloethanes for the generation of unstable carbon radicals by XAT. These transient radicals then undergo β‐scission with release of ethylene and formation of more stable halide radicals which have been used in selective hydrohalogenations of a large number of unsaturated hydrocarbons, including Michael acceptors, unactivated alkenes and alkynes. This hydrohalogenation is tolerant of a broad range of functionalities and is believed to proceed through a radical‐chain manifold that propagates by the use of silane derivatives.
Discovery of CECR2 Bromodomain Inhibitors with High Selectivities over BPTF Bromodomain
Authors: Lu Haibo , Zu Shijia , Duan Zhe , Feng Yueyao , Wang Jie , Ma Jingyi , Li Qi , Chen Dongying , Li Bo , Chen Kaixian , Luo Cheng , Lin Jin , Lu Tian , Lin Hua
Published: May 2022

Comprehensive Summary

Cat's eye syndrome chromosome candidate 2 bromodomain (CECR2 BRD) and Bromodomain PHD transcription factor bromodomain (BPTF BRD) are the same subfamily proteins, both of which are highly conserved in sequence and binding pockets. Challenges remain in the development of small molecules to inhibit one of the two bromodomains (BRDs), in view of each subtype may possess unique physiological and pathological functions. There is still a lack of effective selective inhibitors of CECR2 BRD, which makes it difficult to fully understand the pathogenesis of CECR2‐BRD in diseases, especially cancers. Herein, we report our efforts to discover a series of highly selective CECR2 BRD inhibitors over BPTF BRD based on TP‐248. Structure‐based molecular optimization led to the discovery of DC‐CEi‐26, whose IC50 for CECR2 BRD was 96.7 ± 14.9 nmol/L and selectivity was up to 590 × over BPTF BRD. DC‐CEi‐26 showed weak potencies for other classic BRDs in different subfamily, which may serve as a chemical probe for CECR2 BRD biological research.
Sinomenine Derivatives: Synthesis, Antitumor Activity, and Apoptotic Induction in MCF‐7 Cells via IL‐6/PI3K/Akt/NF‐κB Signaling Pathway
Authors: Zhu Zuchang , Zhou Huixian , Chen Fenglian , Deng Jianxiong , Yin Lina , He Baoen , Hu Qingzhong , Wang Tao
Published: May 2022

Natural products have been widely considered as an important resource for new drugs or lead compounds. Sinomenine (SIN) and its derivatives exert antitumor activity via regulation of inflammatory mediators. For these reasons we synthesized three series of SIN derivatives (compounds 4 a–i, 7 a–c and 11 a–c) as antitumor agents from this natural product. All compounds were prepared by modification at the C1 and C4 positions of the A ring, the C4 position of the A ring, and the C6 and C7 positions of the C ring, respectively. All the derivatives were subjected to in vitro antitumor activity against HeLa, A549, HepG‐2, MCF‐7 and HT‐29 cell lines. To observe the apoptotic induction of SIN derivatives and its mechanism, fluorescent staining and western blot assays were carried out for active compound against MCF‐7. Based on the screening results, most of the SIN derivatives showed better antitumor activity than SIN. Some of them were found to possess broad‐spectrum antitumor activity. Most notably, 11 c exhibited obvious antitumor activity in both cell lines with IC50 values less than 11 μM. Besides, 11 c induced apoptosis of MCF‐7 in a dose‐dependent manner. Western blot assay demonstrated that 11 c inhibited IL‐6‐mediated activation of PI3K/Akt pathway. A docking study revealed that 11 c had stronger binding interaction with the residues of IL‐6 than SIN. All these results indicate that 11 c may be a potential anti‐breast cancer agent by directly targeting IL‐6.
Shock Formation and Vorticity Creation for 3d Euler
Authors: Buckmaster Tristan , Shkoller Steve , Vicol Vlad
Published: May 2022

We analyze the shock formation process for the 3D nonisentropic Euler equations with the ideal gas law, in which sound waves interact with entropy waves to produce vorticity. Building on our theory for isentropic flows in [3, 4], we give a constructive proof of shock formation from smooth initial data. Specifically, we prove that there exist smooth solutions to the nonisentropic Euler equations which form a generic stable shock with explicitly computable blowup time, location, and direction. This is achieved by establishing the asymptotic stability of a generic shock profile in modulated self‐similar variables, controlling the interaction of wave families via: (i) pointwise bounds along Lagrangian trajectories, (ii) geometric vorticity structure, and (iii) high‐order energy estimates in Sobolev spaces. © 2022 Wiley Periodicals LLC.
Measuring Cytoskeletal Mechanical Fluctuations and Rheology with Active Micropost Arrays
Authors: Shi Yu , Sivarajan Shankar , Crocker John C. , Reich Daniel H.
Published: May 2022

The dynamics of the cellular actomyosin cytoskeleton are crucial to many aspects of cellular function. Here, we describe techniques that employ active micropost array detectors (AMPADs) to measure cytoskeletal rheology and mechanical force fluctuations. The AMPADS are arrays of flexible poly(dimethylsiloxane) (PDMS) microposts with magnetic nanowires embedded in a subset of microposts to enable actuation of those posts via an externally applied magnetic field. Techniques are described to track the magnetic microposts’ motion with nanometer precision at up to 100 video frames per second to measure the local cellular rheology at well‐defined positions. Application of these high‐precision tracking techniques to the full array of microposts in contact with a cell also enables mapping of the cytoskeletal mechanical fluctuation dynamics with high spatial and temporal resolution. This article describes (1) the fabrication of magnetic micropost arrays, (2) measurement protocols for both local rheology and cytoskeletal force fluctuation mapping, and (3) special‐purpose software routines to reduce and analyze these data. © 2022 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Fabrication of magnetic micropost arrays

Basic Protocol 2: Data acquisition for cellular force fluctuations on non‐magnetic micropost arrays

Basic Protocol 3: Data acquisition for local cellular rheology measurements with magnetic microposts

Basic Protocol 4: Data reduction: determining microposts’ motion

Basic Protocol 5: Data analysis: determining local rheology from magnetic microposts

Basic Protocol 6: Data analysis for force fluctuation measurements

Support Protocol 1: Fabrication of magnetic Ni nanowires by electrodeposition

Support Protocol 2: Configuring Streampix for magnetic rheology measurements
Review of cool‐season turfgrass water use and requirements: I. Evapotranspiration and responses to deficit irrigation
Authors: Braun Ross C. , Bremer Dale J. , Ebdon Jeffrey Scott , Fry Jack D. , Patton Aaron J.
Published: May 2022

Knowledge of water use rates and responses to deficit irrigation practices in cool‐season turfgrasses is important, particularly in climates where irrigation is required to maintain turf quality. This is Part I of two companion papers reviewing cool‐season turfgrass water use and requirements. Part I presents the history of early water conservation and quantification methods in turfgrass and summarizes research on cool‐season turfgrass evapotranspiration (ET) and deficit irrigation. Part II summarizes research on cool‐season turfgrass drought resistance completed since 1980. Summaries of research from > 60 experiments related to ET include: measured ET rates in various climates; comparisons of actual ET to estimated ET; crop coefficients; deficit irrigation; and how plant characteristics and management practices influence ET. Summarized daily evapotranspiration (ETc) rates for Agrostis L. spp., fine fescues (Festuca L. spp.), tall fescue (Festuca arundinacea Schreb.), Lolium spp., and Poa spp. were a weighted average ETc and coefficient of variation (CV) of 6.12 (19.0%), 5.52 (16.8%), 7.79 (14.5%), 5.90 (19.9%), and 5.35 (30.2%) mm d–1, respectively, with an overall ETc of 6.25 mm d–1 (26.9%). Average crop coefficients have ranged from 0.85 to 0.95 (0.91 weighted average across species) and vary slightly during growing months. Minimum deficit irrigation replacement levels for acceptable turf quality have ranged from 59 to 74% of ET under different irrigation intervals. Further study is warranted to investigate differences in crop coefficients among cultivars within species, cultural influences, deficit irrigation replacement levels, and to standardize measurement protocol to improve consistency in crop coefficients across future turfgrass experiments.
Fluorescent in‐situ hybridization test performed on cell blocks is useful for establishing germ cell origin of metastatic tumors with unusual clinical presentation
Authors: Satturwar Swati P. , Khader Samer N. , Quiroga‐Garza Gabriela M.
Published: May 2022

The majority of germ cell tumors (GCTs) are characterized by iso‐chromosome 12p (i12p) abnormality. The aim of this study is to review the cytomorphologic features and analyze the utility of i12p fluorescent in‐situ hybridization (FISH) test in diagnosing metastatic GCTs primarily evaluated by cytologic techniques in patients without prior history of GCTs. The laboratory information system was queried over a period of 10 years to search for cases where i12p FISH test was requested on cytology material. FISH test was performed using TelVysion 12p telomeric probe and CEP 12 centromere probe on cell‐blocks. A ratio of 12ptel/CEP12 signal of 1.4 or greater was considered as positive. Patient demographics, clinical presentation, cytopathologic findings, and follow‐up surgical resection data were reviewed and correlated. A total of three cases were identified, all men (age range 31–60 years). Cytologic diagnoses were favor metastatic embryonal carcinoma (Case 1, retroperitoneal fluid FNA), metastatic yolk sac tumor/YST (Case 2, lung mass FNA) and adenocarcinoma, likely representing a somatic‐type malignancy (SM) arising from a preexisting GCT (Case 3, retroperitoneal mass FNA). This limited study demonstrated high sensitivity for detecting i12p abnormality by FISH test performed on cell blocks. The cytomorphology of extra‐gonadal GCTs varies according to the histologic subtype. Sarcomatoid morphology of YST, SM or mixed GCTs further complicates cytology evaluation. FISH test for detection of i12p performed on cell‐blocks is extremely useful in establishing germ cell origin of these metastatic GTCs with unusual cytomorphology and guides management in patients without prior history of GCTs.
In search of ecological determinants of fungal infections: A semi‐field experiment with folivorous moths
Authors: Gielen Robin , Põldmaa Kadri , Tammaru Toomas
Published: May 2022

Natural enemies shape the fate of species at both ecological and evolutionary time scales. While the effects of predators, parasitoids, and viruses on insects are well documented, much less is known about the ecological and evolutionary role of entomopathogenic fungi. In particular, it is unclear to which extent may the spatiotemporal distribution patterns of these pathogens create selective pressures on ecological traits of herbivorous insects. In the present study, we reared three lepidopteran species in semi‐natural conditions in a European hemiboreal forest habitat. We studied the probability of the insects to die from fungal infection as a function of insect species, food plant, study site, (manipulated) condition of the larvae, and the phenological phase. The prevalence of entomopathogenic fungi remained low to moderate with the value consistently below 10% across the subsets of the data while as many as 23 fungal species, primarily belonging to the families Cordycipitaceae, Aspergillaceae, and Nectriaceae, were recorded. There were no major differences among the insect species in prevalence of the infections or in the structure of associated fungal assemblages. The family Cordycipitaceae, comprising mainly obligatory entomopathogens, dominated among the pathogens of pupae but not among the pathogens of larvae. Overall, there was evidence for a relatively weak impact of the studied ecological factors on the probability to be infected by a fungal pathogen; there were no effects of food plant, study site, or phenology which would be consistent over the study species and developmental stages of the insects. Nevertheless, when the prevalence of particular fungal taxa was studied, Akanthomyces muscarius was found infecting insects fed with leaves of only one of the food plant, Betula spp. Feeding on a particular plant taxon can thus have specific fitness costs. This demonstrates that fungus‐mediated effects on insect life history traits are possible and deserve attention.
Multiyear monitoring of threatened iconic arboreal mammals in a mid‐elevation conservation reserve in eastern Australia
Authors: Goldingay Ross L. , McHugh Darren , Parkyn Jonathan L.
Published: May 2022

Multiyear investigations of population dynamics are fundamental to threatened species conservation. We used multiseason occupancy based on spotlight surveys to investigate dynamic occupancy of the koala and the greater glider over an 8‐year period that encompassed a severe drought in year 6. We combined our occupancy estimates with literature estimates of density to estimate the population sizes of these species within the focal conservation reserve. Both species showed substantial yearly variation in the probability of detection (koala: 0.13–0.24; greater glider: 0.12–0.36). Detection of the koala did not follow any obvious pattern. Low detection of the greater glider coincided with the drought and two subsequent years. We suggest the low detection reflected a decline in abundance. The probability of occupancy of the koala was estimated to be 0.88 (95% CI: 0.75–1.0) in year 8. Autonomous recording units were also used in year 8, enabling an independent occupancy estimate of 0.80 (0.64–0.90). We found no evidence of a drought‐induced decline in the koala. Habitat variables had a weak influence on koala occupancy probabilities. The probability of occupancy of the greater glider changed little over time, from 0.52 (95% CI: 0.24–0.81) to 0.63 (0.42–0.85) in year 8. Modeling suggested that the probability of colonization was positively influenced by the percentage cover of rainforest. Increased cover of these nonbrowse trees may reflect thermal buffering, site productivity, or soil moisture. We estimate that our study reserve is likely to contain >900 adult koalas and >2400 adult greater gliders. These are among some of the first reserve‐wide estimates for these species. Our study reserve can play an important role in the conservation of both species.
Regional and local determinants of drought resilience in tropical forests
Authors: Köpp Hollunder Renan , Garbin Mário Luís , Rubio Scarano Fabio , Mariotte Pierre
Published: May 2022

The increase in severity of droughts associated with greater mortality and reduced vegetation growth is one of the main threats to tropical forests. Drought resilience of tropical forests is affected by multiple biotic and abiotic factors varying at different scales. Identifying those factors can help understanding the resilience to ongoing and future climate change. Altitude leads to high climate variation and to different forest formations, principally moist or dry tropical forests with contrasted vegetation structure. Each tropical forest can show distinct responses to droughts. Locally, topography is also a key factor controlling biotic and abiotic factors related to drought resilience in each forest type. Here, we show that topography has key roles controlling biotic and abiotic factors in each forest type. The most important abiotic factors are soil nutrients, water availability, and microclimate. The most important biotic factors are leaf economic and hydraulic plant traits, and vegetation structure. Both dry tropical forests and ridges (steeper and drier habitats) are more sensitive to droughts than moist tropical forest and valleys (flatter and wetter habitats). The higher mortality in ridges suggests that conservative traits are not sufficient to protect plants from drought in drier steeper habitats. Our synthesis highlights that altitude and topography gradients are essential to understand mechanisms of tropical forest's resilience to future drought events. We described important factors related to drought resilience, however, many important knowledge gaps remain. Filling those gaps will help improve future practices and studies about mitigation capacity, conservation, and restoration of tropical ecosystems.
Metabolic and immunological responses ofDrosophila melanogasterto dietary restriction and bacterial infection differ substantially between genotypes in a population
Authors: Meshrif Wesam S. , Elkayal Sandy H. , Soliman Mohamed A. , Seif Amal I. , Roeder Thomas
Published: May 2022

To respond to changing environmental conditions, a population may either shift toward better‐adapted genotypes or adapt on an individual level. The present work aimed to quantify the relevance of these two processes by comparing the responses of definedDrosophila melanogasterpopulations to different stressors. To do this, we infected two homogeneous populations (isofemale lines), which differ significantly in fitness, and a synthetic heterogeneous population with a specific pathogen and/or exposed them to food restriction.Pectobacterium carotovorumwas used to infectDrosophilalarvae either fed standard or protein‐restricted diet. In particular, the two homogeneous groups, which diverged in their fitness, showed considerable differences in all parameters assessed (survivorship, protein and lipid contents, phenol‐oxidase (PO) activity, and antibacterial rate). Under fully nutritious conditions, larvae of the homogeneous population with low fitness exhibited lower survivorship and protein levels, as well as higher PO activity and antibacterial rate compared with the fitter population. A protein‐restricted diet and bacterial infection provoked a decrease in survivorship, and antibacterial rate in most populations. Bacterial infection elicited an opposite response in protein and lipid content in both isofemale lines tested. Interestingly, the heterogeneous population showed a complex response pattern. The response of the heterogeneous population followed the fit genotype in terms of survival and antibacterial activity but followed the unfit genotype in terms of PO activity. In conclusion, our results show that defined genotypes exhibit highly divergent responses to varying stressors that are difficult to predict. Furthermore, the responses of heterogeneous populations do not follow a fixed pattern showing a very high degree of plasticity and differences between different genotypes.
Testing the role of local plant chemical diversity on plant–herbivore interactions and plant species coexistence
Authors: Salazar Diego , Marquis Robert J.
Published: May 2022

Accumulating evidence suggests that herbivorous insects influence the local composition and richness of Neotropical plant species, particularly in species‐rich genera. Species richness, phylogenetic diversity, and chemical diversity all influence the ability of insect herbivores to find and utilize their hosts. The relative impact of these components of diversity on species coexistence and plant–herbivore interactions is not well understood. We constructed 60 local communities of up to 13 species of Piper (Piperaceae) in native, mature forest at a lowland wet forest location in Costa Rica. The species composition of each community was chosen such that species richness, phylogenetic diversity, and GCMS‐based chemical diversity were varied independently among communities. We predicted that chemical diversity would most strongly affect the communities across time, with smaller effects of taxonomic and phylogenetic diversity. At 13 months after the experimental planting, we assessed survivorship of each cutting, measured total leaf area loss of the survivors, leaf area loss to generalist and specialist herbivorous insect species, and local extinction of species. Generalist and specialist herbivory decreased with increasing levels of species richness and phylogenetic diversity, respectively. Surprisingly, there was no independent effect of chemical diversity on any of the three measures of herbivore damage. Nevertheless, plots with a higher chemical and phylogenetic diversity showed decreased plant mortality and local species extinction. Overall, our results suggested that both chemical and phylogenetic similarity are important factors in the assembly and maintenance of tropical plant communities. The fact that chemical diversity influences plant mortality suggests that leaf herbivores, and possibly other plant natural enemies, could increase plant diversity via the selective mortality of similar chemotypes.
Island biogeography at the mesoscale: Distance from forest edge affects choice of patch size by ovipositing treefrogs
Authors: Resetarits William J. , Potts Kevin M. , Scott Reed C.
Published: May 2022

Diversity in habitat patches is partly driven by variation in patch size, which affects extinction, and isolation, which affects immigration. Patch size also affects immigration as a component of patch quality. In wetland ecosystems, where variation in patch size and interpatch distance is ubiquitous, relationships between size and isolation may involve trade‐offs. We assayed treefrog oviposition at three patch sizes in arrays of two types, one where size increased with distance from forest (dispersed) and one with all patches equidistant from forest (equidistant), testing directly for an interaction between patch size and distance, which was highly significant. Medium patches in dispersed arrays received more eggs than those in equidistant arrays as use of typically preferred larger patches was reduced in dispersed arrays. Our results demonstrated a habitat selection trade‐off between preferred large and less‐preferred medium patches across small‐scale variation in isolation. Such patch size/isolation relationships are critical to community assembly and to understanding how diversity is maintained within a metapopulation and metacommunity framework, especially as wetland habitat becomes increasingly rare and fragmented. These results bring lessons of island biogeography, writ large, to bear on questions at small scales where ecologists often work and where habitat restoration is most often focused.
Recombinant human brain natriuretic peptide ameliorates venous return function in congestive heart failure
Authors: Luo Jing‐chao , Zhang Yi‐Jie , Huang Dan‐lei , Wang Huan , Luo Ming‐hao , Hou Jun‐yi , Hao Guang‐wei , Su Ying , Tu Guo‐wei , Luo Zhe
Published: May 2022

Aims

Recombinant human brain natriuretic peptide (rh‐BNP) is commonly used as a decongestive therapy. This study aimed to investigate the instant effects of rh‐BNP on cardiac output and venous return function in post‐cardiotomy patients with congestive heart failure (CHF).

Methods and results

Twenty‐four post‐cardiotomy heart failure patients were enrolled and received a standard loading dose of rh‐BNP. Haemodynamic monitoring was performed via a pulmonary artery catheter before and after the administration of rh‐BNP. The cardiac output and venous return functions were estimated by depicting Frank‐Starling and Guyton curves. After rh‐BNP infusion, variables reflecting cardiac congestion and venous return function, such as pulmonary artery wedge pressure, mean systemic filling pressure (Pmsf) and venous return resistance index (VRRI), reduced from 15 ± 3 to 13 ± 3 mmHg, from 32 ± 7 to 28 ± 7 mmHg and from 6.7 ± 2.6 to 5.7 ± 1.8 mmHg min m2/L, respectively. Meanwhile, cardiac index, stroke volume index, and the cardiac output function curve remained unchanged per se. The decline in Pmsf [−13% (−22% to −8%)] and VRRI [−12% (−25% to −5%)] was much greater than that in the systemic vascular resistance index [−7% (−14% to 0%)]. In the subgroup analysis of reduced ejection fraction (<40%) patients, the aforementioned changes were more significant.

Conclusions

rh‐BNP might ameliorate venous return rather than cardiac output function in post‐cardiotomy CHF patients.
Light‐Mediated Aminocatalysis: The Dual‐Catalytic Ability Enabling New Enantioselective Route
Authors: Roy Sourav , Paul Hrishikesh , Chatterjee Indranil
Published: May 2022

Over the last few decades, primary and secondary amines have been enormously used to trigger numerous valuable transformations. Likewise, modern‐day chemistry has witnessed the potentiality of visible‐light photoredox catalysis via single photoelectron transfer reactions. Recently, their synergistic effect has proved to be a crucial synthetic pillar, as several elegant protocols have their accessibility only under the cooperative action of this dual catalytic system. This catalytic system showcases a new green and sustainable synthetic approach which is advantageous from other methods. The emerging area of research demonstrates high efficiency of this dual‐catalytic system to access the plethora of molecular complexity enantioselectively. This Review comprises several momentous developments that surfaced in the last five years in the field of photoredox‐amine dual catalysis underpinning all types of synthetic transformations. By adapting the scope of each strategy, this Review will assist and inspire further development in this thriving field.
Critical success factors for the implementation and management of energy cloud environments
Authors: Schaefer Jones Luís , Siluk Julio Cezar Mairesse , de Carvalho Patrícia Stefan
Published: May 2022

Energy management systems, both at the level of end‐users and companies and organizations, are migrating from a centralized way to cloud‐based environments, thus generating virtual environments for the users to manage their energy generation, storage, and consumption. This energy management system, also called Energy Cloud (EC), is driven by the distributed generation of renewable energies, electric vehicles, and new energy storage technologies, thus providing ample flexibility and autonomy to users. In this sense, the objective of this article is to identify, evaluate, and discuss the Critical Success Factors (CSFs) that impact the implementation and management of EC environments. For this, an approach based on a survey with experts and the Multi‐attribute Utility Theory multicriteria method was used, evaluating the impact levels of CSFs for EC by grouping them according to business areas and structuring them hierarchically in a decision tree. Thus, this research shows that the implementation of EC environments depends more heavily on the energy infrastructure, data management, and the computational systems that process this data. This shows the need for investments in infrastructure renewal and also in the development of new and innovative technological solutions for energy management. Another important result was the evidence of the centralizing role that the users who make up the EC environments have, demanding easier access to the technologies that make up this energy management trend, as well as greater freedoms and decision autonomy, establishing themselves in the role of free users in a dynamic and flexible energy market.
Generalizable predictive modeling of semantic processing ability from functional brain connectivity
Authors: Meng Danting , Wang Suiping , Wong Patrick C. M. , Feng Gangyi
Published: May 2022

Semantic processing (SP) is one of the critical abilities of humans for representing and manipulating conceptual and meaningful information. Neuroimaging studies of SP typically collapse data from many subjects, but its neural organization and behavioral performance vary between individuals. It is not yet understood whether and how the individual variabilities in neural network organizations contribute to the individual differences in SP behaviors. We aim to identify the neural signatures underlying SP variabilities by analyzing functional connectivity (FC) patterns based on a large‐sample Human Connectome Project (HCP) dataset and rigorous predictive modeling. We used a two‐stage predictive modeling approach to build an internally cross‐validated model and to test the model's generalizability with unseen data from different HCP samples and other out‐of‐sample datasets. FC patterns within a putative semantic brain network were significantly predictive of individual SP scores summarized from five SP‐related behavioral tests. This cross‐validated model can be used to predict unseen HCP data. The model generalizability was enhanced in the language task compared with other tasks used during scanning and was better for females than males. The model constructed from the HCP dataset can be partially generalized to two independent cohorts that participated in different semantic tasks. FCs connecting to the Perisylvian language network show the most reliable contributions to predictive modeling and the out‐of‐sample generalization. These findings contribute to our understanding of the neural sources of individual differences in SP, which potentially lay the foundation for personalized education for healthy individuals and intervention for SP and language deficits patients.
Obinutuzumab does not improve complete methabolic response but does not compromise mobilization or engraftment of autologous peripheral blood stem cells in diffuse large B cell lymphoma: Results from a fondazione italiana linfomi prospective phase II study (the GIOTTO study)
Authors: Rigacci Luigi , Battistini Roberta , Kovalchuk Sofia , Zoli Valerio , Puccini Benedetta , Evangelista Andrea , Arcaini Luca , Flenghi Leonardo , Visco Carlo , Mian Michael , Di Rocco Alice , Peracchio Claudia , Gotti Manuel , Tisi Maria Chiara , Palombi Francesca , Pozzi Samantha , Gioia Daniela , Viero Piera , Martelli Maurizio
Published: May 2022

Salvage immunochemotherapy and transplant consolidation is the standard treatment for relapsed or refractory (R/R) diffuse large B‐cell lymphoma (DLBCL). We tested a combination of Obinutuzumab and DHAP for treating R/R DLBCL. The primary end point was the rate of complete metabolic response (CMR). Secondary end points were stem cell mobilization, stem cell engraftment, overall survival, and feasibility. In this prospective, phase‐2, single‐arm trial (EudraCT 2014‐004014‐17) patients received the standard three doses of Obinutuzumab for the first cycle, and then one dose. Patients with CMR were consolidated with an autologous stem cell transplantation (ASCT). An interim analysis was provided after the first 29 patients to confirm the initial null hypothesis that at least 10/29 patients would achieve CMR. Among the 29 patients evaluated for the first stage only six patients (6/29, 21%) achieved CMR, thus, study enrollment was stopped. Nine patients exhibited extra‐hematologic toxicities ≥ grade 3. Among the 19 patients that started stem cell mobilization, one failed (5%) and 18 achieved mobilization (95%). Of these 18 patients, nine were reinfused. Mobilization was observed in 16 patients (89%) after one or two apheresis rounds. The mean number of CD34 + cells mobilized was 5.8 × 106/Kg (median: 5.5, IQR: 5–6.75). The mean number of reinfused CD34 + cells in the nine patients was 4.1 × 106/Kg (median: 4.1, IQR: 3.5–5). Obinutuzumab combined with DHAP did not compromise stem cell mobilization or engraftment after ASCT in patients with DLBCL. However, Obinutuzumab + DHAP provided a lower CMR rate than expected.
Numerical analogy of bioheat transfer and microwave cancer therapy for liver tissue
Authors: Biswas Chaity , Nasrin Rehena , Ahmad Muhammad S.
Published: May 2022

A numerical study of microwave cancer therapy for cylindrical‐shaped liver tissue with an elliptical‐shaped liver tumor has been carried out by this study. The time‐dependent electromagnetic wave and the bio‐heat transfer equations have been used as the governing equations and solved with appropriate boundary conditions using Galerkin's weighted residual scheme built‐in finite element method‐based COMSOL Multiphysics software. The coaxial applicator as well as the effects of different microwave input power levels (from 5 to 25 W), frequencies (from 0.7 to 5 GHz), and treatment time (from 0 to 1000 s) on hepatocellular carcinoma have been examined by this simulation and displayed graphically in terms of the microwave power dissipation, isothermal lines inside liver tissue, time‐dependent profiles of temperature at different locations inside the tumor, specific absorption rate (SAR), and surface average transient temperature distribution of tumor tissue. The results demonstrate that microwave input antenna power and frequency have significant impacts on the temperature distribution and SAR values of liver tissue. When the microwave input power, as well as frequency, is increased, SAR and tissue temperature values also increase but the high temperature is harmful to healthy tissue. It is observed from the performed analysis that the mean temperature of the tumor cell is about 56.86°C at a time of 180 s using 10 W microwave input power and 2.45 GHz frequency.
No data left behind
Authors: Visser Ingmar
Published: May 2022

Infant research notoriously suffers from small samples, resulting in low power. Beyond increasing sample sizes, improving the reliability of our measurements can also increase power and help find more reliable effects. Byers‐Heinlein, Bergmann and Savalei (2021) provide both an analysis of the problem of (low) reliability and a number of valuable recommendations. One of the recommendations is to ‘exclude unreliable data’. Although this may increase the effect size found in the remaining data, it can also unjustifiably bias the estimates when it is unknown what the cause of the unreliability is. In such cases, it is better to embrace the variability and use it to characterize the population: variability is also informative. Modern analytical techniques can be used to deal with variability and with missing data. No data should be left behind!

Highlights

Variability and individual differences are the bread and butter of developmental science.

Discarding variable/unreliable data carries the risk of biasing effect size estimates.

Variable and missing data can be dealt with appropriately with modern analytical approaches.

Byers‐Heinlein et al. (2021) argue that lack of reliability hinders progress in infant research and they provide recommendations for improving reliability. This is indeed much needed: better measurement instruments, more data/trials per infant, and better reporting of the psychometric properties of measurement instruments will improve inference in individual studies and in our field as a whole. One recommendation however—‘exclude low quality data from analysis’—is risky and unnecessary.
PSC subtyping based on TTF‐1 and p40 expression reveals distinct molecular characteristics and therapeutic strategies
Authors: Yang Zhenlin , Tian He , Li Lin , Li Chao , Xu Jiachen , Bie Fenglong , Chen Ying , Tian Yanhua , Bai Guangyu , Peng Yue , Yang Junhui , Fan Tao , Xiao Chu , Liu Wenchao , Liu Lei , Li Renda , Sun Sijin , Zheng Bo , Tan Fengwei , Ying Jianming , Li Chunxiang , Gao Shugeng , He Jie
Published: May 2022

Pulmonary sarcomatoid carcinoma (PSC) is a unique form of poorly differentiated nonsmall cell lung cancer (NSCLC) and is notorious for its highly malignant nature and dismal prognosis. To introduce effective treatment for PSC patients, precise subtyping of PSC is demanding. In our study, TTF‐1 and P40 immunohistochemistry (IHC) staining were applied to 56 PSC patients with multiomics data. According to IHC results, we categorized these patients into three subgroups and profiled their molecular contexture using bioinformatic skills. IHC results classified these patients into three subgroups: TTF‐1 positive subgroup (n = 27), P40 positive subgroup (n = 15) and double‐negative subgroup (n = 14). Spindle cell samples accounted for 35.71% (5/14) of double‐negative patients, higher than others (P = .034). The three subgroups were heterogeneous in the genomic alteration spectrum, showing significant differences in the RTK/RAS pathway (P = .004) and the cell cycle pathway (P = .030). The methylation profile of the double‐negative subgroup was between the other two subgroups. In similarity analysis, the TTF‐1 and p40 subgroups were closely related to LUAD and LUSC, respectively. The TTF‐1 positive subgroup had the highest leukocyte fraction (LF) among several cancer types, and the tumor mutation burden (TMB) of the p40 positive subgroup ranked third in the TMB list, suggesting the applicability of immunotherapy for PSC. The study established a new subtyping method of PSC based on IHC results and reveals three subgroups with distinct molecular features, providing evidence for refined stratification in the treatment of PSC.
Critical factors affecting the decision to adopt cloud computing in Saudi health care organizations
Authors: Ayadi Faouzi
Published: May 2022

This research aims to identify factors that affect cloud computing (CC) adoption decisions among Saudi health care organizations. More precisely, a research model has been developed and tested to present factors that can facilitate or inhibit the decision to adopt CC in such organizations. In addition to its theoretical contributions, this model would help to formulate some recommendations that can aid IT/IS managers in Saudi health care organizations in making the right decisions when adopting cloud solutions. These managerial contributions are very interesting since the health care sector is very advanced and the number of health care organizations searching for new and effective IT solutions is growing quickly in Saudi Arabia. A quantitative type of research was conducted using a self‐administered survey methodology. Data collected from 123 Saudi health care organizations are used to test the research hypotheses. They are analyzed by using XLStat by structural equation modeling. The findings revealed that top managers' support and adequate resources, competitive pressure, and security and compatibility, representing organizational, environmental and technology factors, respectively, are perceived as significant factors for adopting a CC system. Considering the direct and indirect effects of the main variables on CC decisions regarding adoption, we propose some recommendations that would benefit decision‐makers and scholars in this area.
Protein interactions in the biological assembly of iron–sulfur clusters in Escherichia coli: Molecular and mechanistic aspects of the earliest assembly steps
Authors: Bonomi Francesco , Iametti Stefania , Barbiroli Alberto
Published: May 2022

This contribution focuses on the earliest steps of the assembly of FeS clusters and their insertion into acceptor apoproteins, that call for transient formation of a 2Fe2S cluster on a scaffold protein from sulfide and iron salts. For the sake of simplicity, this report is essentially limited to the Escherichia coli isc‐encoded proteins and does not take into account agents that modulate the enzymatic synthesis of sulfide by protein in the same operon or the redox events associated with both sulfide generation and conversion of 2Fe2S structures in clusters of higher nuclearity. Therefore, the results discussed here are based on chemical reconstitution systems using inorganic sulfide, ferric salts, and excess thiols. This simplification offers the possibility to address some mechanistic issues related to the role of protein/protein interaction as for modulating: (a) the rate of cluster assembly on scaffold proteins; (b) the stability of the cluster on the scaffold protein; and (c) the rate of transfer to acceptor apoproteins as also influenced by the acceptor concentration. The emerging picture highlights the mechanistic versatility of the systems, that is discussed in terms of the capability of such an apparently simple combination of proteins to cope with various physiological situation. The hypothetical mechanism presented here may represent an additional way of modulating the rate and outcome of the overall process while avoiding potential toxicity issues.
Prognostic score model based on six m6A‐related autophagy genes for predicting survival in esophageal squamous cell carcinoma
Authors: Chen Funan , Gong Erxiu , Ma Jun , Lin Jiehuan , Wu Canxing , Chen Shanshan , Hu Shuqiao
Published: May 2022

Background

Prognostic signatures based on autophagy genes have been proposed for esophageal squamous cell carcinoma (ESCC). Autophagy genes are closely associated with m6A genes. Our purpose is to identify m6A‐related autophagy genes in ESCC and develop a survival prediction model.

Methods

Differential expression analyses for m6A genes and autophagy genes were performed based on TCGA and HADd databases followed by constructing a co‐expression network. Uni‐variable Cox regression analysis was performed for m6A‐related autophagy genes. Using the optimal combination of feature genes by LASSO Cox regression model, a prognostic score (PS) model was developed and subsequently validated in an independent dataset.

Results

The differential expression of 13 m6A genes and 107 autophagy genes was observed between ESCC and normal samples. The co‐expression network contained 13 m6A genes and 96 autophagy genes. Of the 12 m6A‐related autophagy genes that were significantly related to survival, DAPK2, DIRAS3, EIF2AK3, ITPR1, MAP1LC3C, and TP53 were used to construct a PS model, which split the training set into two risk groups with significant different survival ratios (p = 0.015, 1‐year, 3‐year, and 5‐year AUC = 0.873, 0.840, and 0.829). Consistent results of GSE53625 dataset confirmed predictive ability of the model (p = 0.024, 1‐year, 3‐year, and 5‐year AUC = 0.793, 0.751, and 0.744). The six‐gene PS score was an independent prognostic factor from clinical factors (HR, 2.362; 95% CI, 1.390–7.064; p‐value = 0.012).

Conclusion

Our study recommends 6 m6A‐related autophagy genes as promising prognostic biomarkers and develops a PS model to predict survival in ESCC.