bluuebunny/crossref_metadata_2025 huggingface dataset:
Batch and Continuous Design of a Full‐Scale Treatment Facility for Removing Dissolved Natural Organic Matter
Authors: Sari Bulent , Oztas Ali Erdem , Keskinkan Olcayto , Ersu Cagatayhan Bekir
Published: November 2020

Batch and continuous flow adsorption experiments are carried out and the design of a full‐scale facility for removing dissolved natural organic matter (DNOM) from Catalan Lakewater is demonstrated. The adsorption efficiency is proportional to the temperature and the amount of adsorbent unlike pH increase. The highest DNOM removal rate is obtained at 35 °C, pH 4, and an adsorbent amount of 0.8 g L−1. Optimum contact time for batch studies is 60 min at equilibrium. Correlation constants (r) of Langmuir and Freundlich isotherms are 0.8905 and 0.9739, respectively. Based on the Freundlich isotherm, the highest adsorption capacity (qmax) obtained is 2.44 and 6.01 mg DNOM/g granulated activated carbon (GAC) for raw and enriched water, respectively. Consequently, the effects of adsorbent amount, bed depth, empty bed contact time, and organic loading on removal performance are investigated in the rapid small‐scale column test (RSSCT) columns. The
targeted effluent concentration of 1 mg DNOM/L can easily be achieved in the columns. At the
design capacity of the facility, 15 adsorption columns with dimensions of 7 m
height, 4.33 m diameter, and 22 days of operation cycle are required to remove
DNOM from raw water.
Actin filament‐ and Wiskott‐Aldrich syndrome protein‐binding sites on fructose‐1,6‐bisphosphate aldolase are functionally distinct from the active site
Authors: Hui Maggie H. , Rhine Kevin , Tolan Dean R.
Published: November 2020

The glycolytic enzyme fructose 1,6‐(bis)phosphate aldolase (aldolase) is not only required for efficient utilization of glucose and fructose, but also for cytoskeletal functions like cytokinesis and cell motility. These differing roles are mediated by distinct and discrete binding interactions with aldolase's many binding partners, including actin filaments, Wiskott‐Aldrich Syndrome protein (WASP), and Sorting Nexin 9 (SNX9). How these interactions are coordinated on the aldolase homotetramer of 160 kDa is unclear. In this study, the catalytic activity of wild‐type aldolase is measured in the presence of actin filaments, and a WASP‐derived peptide that binds to aldolase, or both. No appreciable changes in kcat or Km values are seen. Then, aldolase variants with substitutions targeting the tryptophan‐binding pocket for WASP and SNX9 are created and perturbation of actin filament‐, WASP peptide‐, and SNX9 peptide‐binding are assessed. Those that negatively impacted binding did not show an impact on aldolase catalysis. These results suggest that aldolase can engage in catalysis while simultaneously interacting with cytoskeletal machinery.
Small‐Molecule Inhibitors of Shp2 Phosphatase as Potential Chemotherapeutic Agents for Glioblastoma: A Minireview
Authors: Mitra Rangan , Ayyannan Senthil R.
Published: November 2020

Glioblastoma multiforme (GBM) is a dreadful cancer characterised by poor prognosis, low survival rate and difficult clinical correlations. Several signalling pathways and molecular mediators are known to precipitate GBM, and small‐molecular targets of these mediators have become a favoured thrust area for researchers to develop potent anti‐GBM drugs. Shp2, an important phosphatase of the nonreceptor type protein tyrosine phosphatase (PTPN) subfamily is responsible for master regulation of several such signalling pathways in normal and glioma cells. Thus, inhibition of Shp2 is a logical strategy for the design and development of anti‐neoplastic drugs against GBM. Though tapping the full potential of Shp2 binding sites has been challenging, nevertheless, many synthetic and natural scaffolds have been documented as possessing potent and selective anti‐Shp2 activities in biochemical and cellular assays, through either active‐site or allosteric binding. Most of these scaffolds share a few common pharmacophoric features, a thorough study of which is useful in paving the way for the design and development of improved Shp2 inhibitors. This minireview summarizes the current scenario of potent small‐molecule Shp2 inhibitors and emphasizes the anti‐GBM potential of some important scaffolds that have shown promising GBM‐specific activity in in vitro and in vivo models, thus proving their efficacy in GBM therapy. This review could guide researchers to design new and improved anti‐Shp2 pharmacophores and develop them as anti‐GBM agents by employing GBM‐centric drug‐discovery protocols.
Bioengineering of Anti‐Inflammatory Natural Products
Authors: Winand Lea , Sester Angela , Nett Markus
Published: November 2020

Inflammatory processes occur as a generic response of the immune system and can be triggered by various factors, such as infection with pathogenic microorganisms or damaged tissue. Due to the complexity of the inflammation process and its role in common diseases like asthma, cancer, skin disorders or Alzheimer's disease, anti‐inflammatory drugs are of high pharmaceutical interest. Nature is a rich source for compounds with anti‐inflammatory properties. Several studies have focused on the structural optimization of natural products to improve their pharmacological properties. As derivatization through total synthesis is often laborious with low yields and limited stereoselectivity, the use of biosynthetic, enzyme‐driven reactions is an attractive alternative for synthesizing and modifying complex bioactive molecules. In this minireview, we present an outline of the biotechnological methods used to derivatize anti‐inflammatory natural products, including precursor‐directed biosynthesis, mutasynthesis, combinatorial biosynthesis, as well as whole‐cell and in vitro biotransformation.
Photophysics of Fluorescent Contact Sensors Based on the Dicyanodihydrofuran Motif
Authors: Suhina Tomislav , Bonn Daniel , Weber Bart , Brouwer Albert M.
Published: November 2020

Fluorescent molecular rotors have been used for measurements of local mobility on molecular length scales, for example to determine viscosity, and for the visualization of contact between two surfaces. In the present work, we deepen our insight into the excited‐state deactivation kinetics and mechanics of dicyanodihydrofuran‐based molecular rotors. We extend the scope of the use of this class of rotors for contact sensing with a red‐shifted member of the family. This allows for contact detection with a range of excitation wavelengths up to ∼600 nm. Steady‐state fluorescence shows that the fluorescence quantum yield of these rotors depends not only on the rigidity of their environment, but – under certain conditions – also on its polarity. While excited state decay via rotation about the exocyclic double bond is rapid in nonpolar solvents and twisting of a single bond allows for fast decay in polar solvents, the barriers for both processes are significant in solvents of intermediate polarity. This effect may also occur in other molecular rotors, and it should be considered when applying such molecules as local mobility probes.
COVIDOSE: A Phase II Clinical Trial of Low‐Dose Tocilizumab in the Treatment of Noncritical COVID‐19 Pneumonia
Authors: Strohbehn Garth W. , Heiss Brian L. , Rouhani Sherin J. , Trujillo Jonathan A. , Yu Jovian , Kacew Alec J. , Higgs Emily F. , Bloodworth Jeffrey C. , Cabanov Alexandra , Wright Rachel C. , Koziol Adriana K. , Weiss Alexandra , Danahey Keith , Karrison Theodore G. , Edens Cuoghi C. , Bauer Ventura Iazsmin , Pettit Natasha N. , Patel Bhakti K. , Pisano Jennifer , Strek Mary E. , Gajewski Thomas F. , Ratain Mark J. , Reid Pankti D.
Published: November 2020

Interleukin‐6 (IL‐6)–mediated hyperinflammation may contribute to the mortality of coronavirus disease 2019 (COVID‐19). The IL‐6 receptor–blocking monoclonal antibody tocilizumab has been repurposed for COVID‐19, but prospective trials and dose‐finding studies in COVID‐19 have not yet fully reported. We conducted a single‐arm phase II trial of low‐dose tocilizumab in nonintubated hospitalized adult patients with COVID‐19, radiographic pulmonary infiltrate, fever, and C‐reactive protein (CRP) ≥ 40 mg/L. We hypothesized that doses significantly lower than the emerging standards of 400 mg or 8 mg/kg would resolve clinical and laboratory indicators of hyperinflammation. A dose range from 40 to 200 mg was evaluated, with allowance for one repeat dose at 24 to 48 hours. The primary objective was to assess the relationship of dose to fever resolution and CRP response. Thirty‐two patients received low‐dose tocilizumab, with the majority experiencing fever resolution (75%) and CRP decline consistent with IL‐6 pathway abrogation (86%) in the 24–48 hours following drug administration. There was no evidence of a relationship between dose and fever resolution or CRP decline over the dose range of 40–200 mg. Within the 28‐day follow‐up, 5 (16%) patients died. For patients who recovered, median time to clinical recovery was 3 days (interquartile range, 2–5). Clinically presumed and/or cultured bacterial superinfections were reported in 5 (16%) patients. Low‐dose tocilizumab was associated with rapid improvement in clinical and laboratory measures of hyperinflammation in hospitalized patients with COVID‐19. Results of this trial provide rationale for a randomized, controlled trial of low‐dose tocilizumab in COVID‐19.
Antibacterial effect of nanocurcumin inside the implant fixture: An in vitro study
Authors: Negahdari Ramin , Ghavimi Mohammad Ali , Barzegar Ali , Memar Mohammad Yousef , Balazadeh Ladan , Bohlouli Sepideh , Sharifi Simin , Maleki Dizaj Solmaz
Published: November 2020

Objectives

Infections after implant placement are the main reasons for the failure of implant treatments. The present study aimed to evaluate the antibacterial effects of nanocurcumin inside the implant fixture against Escherichia coli, Staphylococcus aureus, and Enterococcus faecalis.

Materials and Methods

Twenty seven implants were classified in three groups for testing the antibacterial effect of nanocurcumin, chlorhexidine (as negative control), and distilled water (as negative control). Each group was then divided into three subgroups to study the effect of the applied torque on the antimicrobial effect of nanocurcumin. All implant abutment assemblies were submerged in bacteria suspension and were incubated at 37°C for 24 hours. The contents of each implant were removed to count the colony of bacteria on the surface of plates containing nutrient agar.

Results

Results indicated that the inhibitory rate of bacteria by nanocurcumin was above 99% in all bacteria. Besides, by increasing the amount of applied torque from 10 to 35 N.cm, the CFU of bacteria in exposure to nanocurcumin significantly were decreased (p‐value < 0.01).

Conclusion

The results of this study revealed that nanocurcumin can be used inside the implant fixture in order to use antimicrobial effects and further stabilization and success of the implant.
A multispecies approach to manage effects of land cover and weather on upland game birds
Authors: Schindler Alexander R. , Haukos David A. , Hagen Christian A. , Ross Beth E.
Published: November 2020

Loss and degradation of grasslands in the Great Plains region have resulted in major declines in abundance of grassland bird species. To ensure future viability of grassland bird populations, it is crucial to evaluate specific effects of environmental factors among species to determine drivers of population decline and develop effective conservation strategies. We used threshold models to quantify the effects of land cover and weather changes in "lesser prairie‐chicken" and "greater prairie‐chicken" (Tympanuchus pallidicinctus and T. cupido, respectively), northern bobwhites (Colinus virginianus), and ring‐necked pheasants (Phasianus colchicus). We demonstrated a novel approach for estimating landscape conditions needed to optimize abundance across multiple species at a variety of spatial scales. Abundance of all four species was highest following wet summers and dry winters. Prairie chicken and ring‐necked pheasant abundance was highest following cool winters, while northern bobwhite abundance was highest following warm winters. Greater prairie chicken and northern bobwhite abundance was also highest following cooler summers. Optimal abundance of each species occurred in landscapes that represented a grassland and cropland mosaic, though prairie chicken abundance was optimized in landscapes with more grassland and less edge habitat than northern bobwhites and ring‐necked pheasants. Because these effects differed among species, managing for an optimal landscape for multiple species may not be the optimal scenario for any one species.
Genetic structure and life history are key factors in species distribution models of spiny lobsters
Authors: Singh Sohana P. , Groeneveld Johan C. , Willows‐Munro Sandi
Published: November 2020

Aim

We incorporated genetic structure and life history phase in species distribution models (SDMs) constructed for a widespread spiny lobster, to reveal local adaptations specific to individual subspecies and predict future range shifts under the RCP 8.5 climate change scenario.

Location

Indo‐West Pacific.

Methods

MaxEnt was used to construct present‐day SDMs for the spiny lobster Panulirus homarus and individually for the three genetically distinct subspecies of which it comprises. SDMs incorporated both sea surface and benthic (seafloor) climate layers to recreate discrete influences of these habitats during the drifting larval and benthic juvenile and adult life history phases. Principle component analysis (PCA) was used to infer environmental variables to which individual subspecies were adapted. SDM projections of present‐day habitat suitability were compared with predictions for the year 2,100, under the RCP 8.5 climate change scenario.

Results

In the PCA, salinity best explained P. h. megasculptus habitat suitability, compared with current velocity in P. h. rubellus and sea surface temperature in P. h. homarus. Drifting and benthic life history phases were adapted to different combinations of sea surface and benthic environmental variables considered. Highly suitable habitats for benthic phases were spatially enveloped within more extensive sea surface habitats suitable for drifting larvae. SDMs predicted that present‐day highly suitable habitats for P. homarus will decrease by the year 2,100.

Main conclusions

Incorporating genetic structure in SDMs showed that individual spiny lobster subspecies had unique adaptations, which could not be resolved in species‐level models. The use of sea surface and benthic climate layers revealed the relative importance of environmental variables during drifting and benthic life history phases. SDMs that included genetic structure and life history were more informative in predictive models of climate change effects.
Morning glory species co-occurrence is associated with asymmetrically decreased and cascading reproductive isolation
Authors: Ostevik Kate L. , Rifkin Joanna L. , Xia Hanhan , Rausher Mark D
Published: November 2020

Hybridization between species can affect the strength of the reproductive barriers that separate those species. Two extensions of this effect are (1) the expectation that asymmetric hybridization or gene flow will have asymmetric effects on reproductive barrier strength and (2) the expectation that local hybridization will affect only local reproductive barrier strength and could therefore alter within-species compatibility. We tested these hypotheses in a pair of morning glory species that exhibit asymmetric gene flow from highly selfing Ipomoea lacunosa into mixed-mating Ipomoea cordatotriloba in regions where they co-occur. Because of the direction of this gene flow, we predicted that reproductive barrier strength would be more strongly affected in I. cordatotriloba than I. lacunosa. We also predicted that changes to reproductive barriers in sympatric I. cordatotriloba populations would affect compatibility with allopatric populations of that species. We tested these predictions by measuring the strength of a reproductive barrier to seed set across the species’ ranges. Consistent with our first prediction, we found that sympatric and allopatric I. lacunosa produce the same number of seeds in crosses with I. cordatotriloba, whereas crosses between sympatric I. cordatotriloba and I. lacunosa are more successful than crosses between allopatric I. cordatotriloba and I. lacunosa. This difference in compatibility appears to reflect an asymmetric decrease in the strength of the barrier to seed set in sympatric I. cordatotriloba, which could be caused by I. lacunosa alleles that have introgressed into I. cordatotriloba. We further demonstrated that changes to sympatric I. cordatotriloba have decreased its ability to produce seeds with allopatric populations of the same species, in line with our second prediction. Thus, in a manner analogous to cascade reinforcement, we suggest that introgression associated with hybridization not only influences between-species isolation but can also contribute to isolation within a species.
Middle Triassic tectono‐sedimentary development of Sichuan Basin: Insights into the cratonic differentiation
Authors: Li Yingqiang , Li Shuangjian , He Dengfa , Gao Jian , Wang Yuanchong , Huang Hanyu , Zhang Juntao , Zhang Yong
Published: November 2020

The Middle Triassic succession of the Sichuan Basin contains key information about the Early Indosinian Movement, during which it has changed from extensional to compressional. In order to clarify the relationship between the evolution of the Sichuan Basin during the Indosinian Movement, the Middle Triassic tectonostratigraphic environment should be determined. Detailed stratigraphy and facies analysis integrated with structural and basin analysis, allowed a full reconstruction of the tectonic and depositional environments for the Middle Triassic strata of the Sichuan Basin. Six facies associations from two rock systems of: (a) carbonate–evaporite system and (b) a mixed carbonate–siliciclastic system, were characterized. Four depositional stages highlighted by the lithostratigraphic members of the Leikoupo (Lei) and Badong (Ba) formations were divided: (a) stable subsidence and deposition of the Lei‐1/Ba‐1 Member, leading to an embryonic ‘uplifts and sags’ configuration; (b) inherited deposition of the Lei‐2/Ba‐2 Member, with the platform margin belt extended; (c) rapid deposition of the Lei‐3/Ba‐3 Member, characterized by an eastward shift of the depositional centre and formation of the central anhydrite‐rich lagoon; and (d) intensification of cratonic tectono‐sedimentary differentiation during the Lei‐4/Ba‐4 deposition, that resulted in subaerial exposure along the Luzhou–Kaijiang uplift zone and a hydrodynamically restricted depression along the western platform. The Middle Triassic tectonic framework of the Sichuan Basin was dominated by compression in the east and extension in the west. The western margin was a passive continental margin, inheriting an early rifting event, while the eastern area within the craton showed an ‘uplift‐sag’ pattern, which is a response to intracontinental tectonic movement of the Xuefengshan uplift belt. The basin evolved from incipient low‐relief uplifts and sags within the intracratonic depression to subsequent isolated foreland and restricted depression during the Middle Triassic.
Sixty years of research on technology and human resource management: Looking back and looking forward
Authors: Kim Sunghoon , Wang Ying , Boon Corine
Published: November 2020

Technology has changed the way we work and how companies manage their employees. This article reviews 60 years of research on the relationship between technology and human resource management, as represented in Human Resource Management. Based on 154 articles, we identify recurring and evolving patterns of research on technology across three time periods (separated by the advent of the personal computer in 1977 and by the popularization of consumer internet services in 1997), three perspectives on technology (tool, proxy, and ensemble view of technology), and three thematic streams (the impact of technology on jobs and organizations, the utilization of technology in HR activities, and the management of technology workers). Drawing on patterns of research that emerged in the past, we provide suggestions for future HR research on newly arriving technology.
Is the risk of childhood leukaemia associated with socioeconomic measures in Denmark? A nationwide register‐based case‐control study
Authors: Erdmann Friederike , Hvidtfeldt Ulla Arthur , Feychting Maria , Sørensen Mette , Raaschou‐Nielsen Ole
Published: November 2020

The aetiology of childhood leukaemia is poorly understood. Knowledge about differences in risk by socioeconomic status (SES) may enhance etiologic insights. We conducted a nationwide register‐based case‐control study to evaluate socioeconomic differences in the risk of childhood leukaemia in Denmark and to access whether associations varied by different measures of SES, time point of assessment, leukaemia type and age at diagnosis. We identified all cases of leukaemia in children aged 0 to 19 years, born and diagnosed between 1980 and 2013 from the Danish Cancer Registry (N = 1336) and sampled four individually matched controls per case (N = 5330). We used conditional logistic regression models for analysis. Medium and high level of parental education was associated with a higher risk of acute myeloid leukaemia (AML) in the offspring, mainly driven by children diagnosed at ages 0 to 4 years [odds ratio (OR) for high maternal education = 3.07; 95% confidence interval (CI): 1.44‐6.55]. We also observed a modestly increased risk for lymphoid leukaemia (LL) in association with higher level of parental education, but only in children diagnosed at ages 5 to 19 years. Higher parental income was associated with an increased risk of LL but not AML among children aged 5 to 19 years at diagnosis (OR for high maternal income = 2.78; 95% CI: 1.32‐5.89). Results for neighbourhood SES measures indicated null associations. Bias or under‐ascertainment of cases among families with low income or basic education are unlikely to explain the observed socioeconomic differences. Future research addressing explicitly the underlying mechanisms of our results may help to enhance etiologic insights of the disease.
Ring opening of 2,6‐diaryl‐3,5‐diphenyl piperidine‐4‐one by acetic acid: Structural studies and Hirshfeld surface analysis of (E)‐4‐aryl‐1,3‐diphenylbut‐3‐en‐2‐ones
Authors: Vengatesh Gopal , Sundaravadivelu Manthiram , Muthusubramanian Shanmugam
Published: November 2020

Six α,β‐unsaturated carbonyl compounds have been obtained from 2,6‐diaryl‐3,5‐diphenylpiperidine‐4‐one by the treatment with acetic acid. A plausible mechanism for the ring opening of 2,6‐diaryl‐3,5‐diphenyl piperidin‐4‐ones is proposed. The resultant (E)‐4‐aryl‐1,3‐diphenylbut‐3‐en‐2‐ones have been characterized by 1H and 13C nuclear magnetic resonance (NMR) spectral studies. One of the compounds was completely characterized by 2D NMR techniques, and structure of the compound is further proved by single‐crystal X‐ray diffraction (XRD) analysis. The crystal structure, three‐dimensional framework of crystal, and Hirshfeld surface analysis of two of the compounds have been discussed. In the crystals, molecules are mainly linked by CH···O hydrogen bonding interactions, and this interaction forms an inversion dimer with R21(6) and R21(10) ring motifs in one of the compounds. Hirshfeld surface indicates the dominance of H···H contacts on the overall surface.
Opioid Usage and Prescribing Predictors Following Transoral Robotic Surgery for Oropharyngeal Cancer
Authors: Abt Nicholas B. , Holcomb Andrew J. , Feng Allen L. , Suresh Krish , Mokhtari Tara E. , McHugh Christopher I. , Parikh Anuraag S. , Faden Daniel L. , Deschler Daniel G. , Varvares Mark A. , Lin Derrick T. , Richmon Jeremy D.
Published: November 2020

Objective/Hypothesis

Pain management following transoral robotic surgery (TORS) varies widely. We aim to quantify opioid usage following TORS for oropharyngeal squamous cell carcinoma (OPSCC) and identify prescribing predictors.

Study Design

Retrospective cohort study.

Methods

A consecutive series of 138 patients undergoing TORS for OPSCC were reviewed from 2016 to 2019. Opioid usage (standardized to morphine milligram equivalents [MME]) was gathered for 12 months post‐surgery via prescribing record cross‐check with the Massachusetts Prescription Awareness Tool.

Results

Of 138 OPSCC TORS patients, 92.8% were human papillomavirus (HPV) positive. Adjuvant therapy included radiation (XRT;67.4%) and chemoradiation (cXRT;6.5%). Total MME usage from start of treatment averaged 1395.7 MMEs with 76.4% receiving three prescriptions or less. Categorical analysis showed age <65, male sex, overweight BMI, lower frailty, former smokers, HPV+, higher T stage, and BOT subsite to be associated with increased MMEs. Adjuvant therapy significantly increased MMEs (TORS+XRT:1646.2; TORS+cXRT:2385.0; TORS alone:554.7 [P < .001]) and 12‐month opioid prescription totals (TORS+XRT:3.2; TORS+cXRT:5.5; TORS alone:1.6 [P < .001]). Adjuvant therapy increased time to taper (total MME in TORS alone versus TORS+XRT/cXRT: 0 to 3 months:428.2 versus 845.5, 4 to 6 months:46.8 versus 541.8, 7 to 9 months:12.4 versus 178.6, 10 to 12 months:11.0 versus 4.4,[P < .001]). Positive predictors of opioid prescribing at the 4‐ to 6‐month and 4‐ to 12‐month intervals included adjuvant therapy (odds ratio [OR]:5.56 and 4.51) and mFI‐5 score ≥3 (OR:36.67 and 31.94). Following TORS at 6‐, 9‐, and 12‐month, 15.7%, 6.6%, and 4.1% were still using opioids.

Conclusions

In OPSCC treated with TORS, opioid use tapers faster for surgery alone versus with adjuvant therapy. Opioid prescribing risks include adjuvant therapy and higher frailty index.

Level of Evidence

4 Laryngoscope, 131:E1888–E1894, 2021
Nonconjugated Biocompatible Macromolecular Luminogens for Sensing and Removals of Fe(III) and Cu(II): DFT Studies on Selective Coordination(s) and On‐Off Sensing
Authors: Dutta Arnab , Mahapatra Manas , Deb Mousumi , Ghosh Narendra Nath , Chattopadhyay Pijush Kanti , Singha Nayan Ranjan
Published: November 2020

This work reports the design and synthesis of two nonaromatic biocompatible macromolecular luminogens, i.e., 2‐(dimethylamino)ethyl methacrylate‐co‐2‐(dimethylamino)ethyl 3‐(N‐(methylol)acrylamido)‐2‐methylpropanoate‐co‐N‐(methylol)acrylamide/DMAEMA‐co‐DMAENMAMP‐co‐NMA (P1) and methacrylic acid‐co‐3‐(N‐(methylol)acrylamido)‐2‐methylpropanoic acid‐co‐N‐(methylol)acrylamide/MEA‐co‐NMAMPA‐co‐NMA (P2), prepared through in situ anchored acrylamido‐ester/DMAENMAMP and acrylamido‐acid/NMAMPA third comonomers, respectively, in a facile polymerization of two non‐luminous monomers in water medium to circumvent the drawbacks related to aggregation‐caused quenching of aromatic luminogens. The structures of P1/P2, in situ anchored comonomers, fluorophores, N‐branching associated n–π* interactions, and hydrogen bonding assisted aggregation‐enhanced emissions are comprehended by nuclear magnetic resonance, Fourier transform infrared (FTIR), X‐ray photoelectron spectroscopy (XPS), ultraviolet‐visible, thermogravimetric analysis (TGA), dynamic light scattering (DLS), transmission electron microscopy (TEM), fluorescence lifetime, and fluorescence imaging. P1 and P2 are appropriate for sensitive detections/exclusions of Fe(III)/Cu(II) and cell‐imaging. The intrinsic fluorescence, on‐off sensing, selective coordinations of Fe(III) and Cu(II) with fluorophores, emission quenching mechanisms, and removals of Fe(III) and Cu(II) are investigated by DFT/NTO analyses of P1/P2 and Fe(III)‐P1 and Cu(II)‐P2 complexes, XPS, and isotherms and kinetics parameters. The excellent biocompatibilities, comparable limit of detections, i.e., 1.70 × 10−7 and 1.59 × 10−7 [m], and higher adsorption capacities, i.e., 77.25 and 154.13 mg g−1, at low ppm; 303 K; and pH = 7 compel P1/P2 to be acceptable for multipurpose applications.
Regularization error estimates for distributed control problems in energy spaces
Authors: Neumüller Martin , Steinbach Olaf
Published: November 2020

For tracking type distributed optimal control problems subject to second‐order elliptic partial differential equations, we analyze the regularization error of the state uϱ and the target
with respect to the regularization parameter ϱ. The main focus is on the regularization in the energy space H−1(Ω), but we also consider the regularization in L2(Ω) for comparison. While there is no difference in the regularization error estimates when considering suitable target functions
, we obtain a higher‐order convergence in the relaxation parameter ϱ when considering the control in the energy space H−1(Ω), which also affects the approximation of the target
by the state uϱ.
Frequency and phase correction of J‐difference edited MR spectra using deep learning
Authors: Tapper Sofie , Mikkelsen Mark , Dewey Blake E. , Zöllner Helge J. , Hui Steve C. N. , Oeltzschner Georg , Edden Richard A. E.
Published: November 2020

Purpose

To investigate whether a deep learning‐based (DL) approach can be used for frequency‐and‐phase correction (FPC) of MEGA‐edited MRS data.

Methods

Two neural networks (1 for frequency, 1 for phase) consisting of fully connected layers were trained and validated using simulated MEGA‐edited MRS data. This DL‐FPC was subsequently tested and compared to a conventional approach (spectral registration [SR]) and to a model‐based SR implementation (mSR) using in vivo MEGA‐edited MRS datasets. Additional artificial offsets were added to these datasets to further investigate performance.

Results

The validation showed that DL‐based FPC was capable of correcting within 0.03 Hz of frequency and 0.4°of phase offset for unseen simulated data. DL‐based FPC performed similarly to SR for the unmanipulated in vivo test datasets. When additional offsets were added to these datasets, the networks still performed well. However, although SR accurately corrected for smaller offsets, it often failed for larger offsets. The mSR algorithm performed well for larger offsets, which was because the model was generated from the in vivo datasets. In addition, the computation times were much shorter using DL‐based FPC or mSR compared to SR for heavily distorted spectra.

Conclusion

These results represent a proof of principle for the use of DL for preprocessing MRS data.
Socio‐psychological factors, beyond knowledge, predict people’s engagement in pollinator conservation
Authors: Knapp Jessica L. , Phillips Benjamin B. , Clements Jen , Shaw Rosalind F. , Osborne Juliet L.
Published: November 2020

Abstract

Nature conservation often depends on the behaviour of individuals, which can be driven by socio‐psychological factors such as a person's attitude, knowledge and identity. Despite extensive ecological research about pollinator declines, there has been almost no social research assessing the drivers of people's engagement in pollinator conservation.

To address this gap, we used a large‐scale, online questionnaire in the United Kingdom, broadly framed around the Theory of Planned Behaviour. We received a total of 1,275 responses from a wide range of ages, incomes and education levels, despite a selection bias towards people with a pre‐existing interest in pollinators.

A range of socio‐psychological factors predicted people's pollinator conservation actions and explained 45% of the variation. Respondents’ diversity of nature interactions and perceived behavioural control (feeling able to help pollinators) were consistently important predictors of people's pollinator conservation actions, whilst the importance of other socio‐psychological factors depended on the particular action.

Notably, knowledge was far less important overall than people's perceptions and other socio‐psychological factors, highlighting a knowledge‐action gap. Further unexplained variation in people's behaviour could partly be due by structural and contextual factors, particularly regarding social norms around tidiness.

From a practical perspective, our findings reveal three main insights. First, several simple, low‐cost pollinator conservation actions (reduced mowing, leaving areas unmown and creating patches of bare ground for ground‐nesting bees) are currently under‐utilised so should be priorities for pollinator conservation programmes.

Second, strategies are needed to overcome reported practical barriers, for example by providing free resources (e.g. seeds of pollen‐ and nectar‐rich plants) and communicating simple beneficial actions that can be carried out with limited time, space and money.

Third, knowledge is just one (relatively less important) factor that predicts pollinator conservation behaviour—other socio‐psychological factors provide potential pathways for increasing uptake, and structural and contextual limitations also need to be considered. In practice, this could be achieved by engaging, inspiring and empowering the public to help pollinators and to take responsibility for their local environment, for example through environmental education and community programmes facilitating public interest and involvement in the management of greenspace.

A free Plain Language Summary can be found within the Supporting Information of this article.
Properties of Composite Solid Propellants Containing α‐FeOOH
Authors: Park Sungjun J. , Choi Sunghan H. , Park Jungho H.
Published: November 2020

The initial viscosities of propellants based on yellow iron oxide and red iron oxide were similar. Furthermore, it was confirmed that the thermal decomposition rate of the material to which yellow iron oxide was added was higher than that of the material to which red iron oxide was added; in particular, the pressure index at high pressure was low. From analyzing the combustion properties of the actual test motor, it was concluded that erosion and combustion mainly occur in the initial stage of operation of the rocket motor, and are mitigated due to the low initial pressure in the propellant containing yellow iron oxide. The mechanical properties of the propellant with yellow iron oxide were slightly better compared to those of the propellants with red iron oxide. The analysis revealed that the crystallinity, volatility, thermal decomposition, and mechanical properties of yellow iron oxide were unchanged with natural aging for 10 years. Thus, yellow iron oxide can exhibit the same performance even after prolonged aging for 10 years when applied in a rocket motor.
GeneralizedH2control of the linear system with semi‐Markov jumps
Authors: Xin Bo , Zhao Dianli
Published: November 2020

This article studies a class of asynchronous generalizedH2control problems for continuous‐time discrete‐state semi‐Markov jump linear systems. By constructing a Lyapunov function based on the semi‐Markov process, introducing a weak infinitesimal operator and applying the smoothness of the expectation, sufficient conditions are obtained to ensure stochastic stability and generalizedH2performance of the system. Simultaneously, equivalent conditions are given by introducing slack variables and an asynchronous controller is designed. Moreover, we derive the sufficient conditions for the case where the transition rate is partially unknown. Finally, we use the cone complement linearization iterative algorithm to simulate two examples to prove the effectiveness of the design scheme.
Regional‐scale forest restoration effects on ecosystem resiliency to drought: a synthesis of vegetation and moisture trends on Google Earth Engine
Authors: Sankey Temuulen , Belmonte Adam , Massey Richard , Leonard Jackson
Published: November 2020

Large‐scale changes in forest structure and ecological function throughout western North America have led to increased frequency, size, and severity of wildfires. The US Forest Service is implementing state‐wide forest restoration initiatives to reduce wildfire hazards and improve forest health. We provide a synthesis of pre‐ and post‐treatment forest vegetation and ecosystem moisture trends between 1990 and 2017 in Arizona, the first US state where the initiative has implemented a variety of thinning and burning methods in over 1,200 polygon areas across 3.5 million ha. Using 4,426 Landsat satellite images on Google Earth Engine, we calculated normalized difference moisture index (NDMI), normalized difference water index (NDWI), and normalized difference vegetation index (NDVI) to create dense time‐series datasets. The indices and 1990‐2017 annual total precipitation dataset were then examined using a Mann–Kendall tau test to identify statistically significant upward and downward trends for each pixel. Our results indicate that much of the study region were experiencing drought conditions prior to restoration treatments and NDVI values were significantly decreasing, especially during the dry spring season. However, both NDMI and NDWI trends indicate that the forest restoration treatments have contributed to increased total ecosystem moisture, while precipitation in the post‐treatment period exhibit stable trends. Forest restoration treatments appear to have improved the overall forest health and resiliency to drought, especially during the dry spring season, when forests are most vulnerable to water stress and wildfire risks. Our results of the spatial patterns and long‐term trends in these variables can inform the currently ongoing and future restoration treatments to better target the treatment strategy across the southwestern USA. Google Earth Engine enabled our synthesis of these long‐term trends over the large region and will enhance our continued monitoring in the coming decade.
Optimal two‐phase sampling for estimating the area under the receiver operating characteristic curve
Authors: Wu Yougui
Published: November 2020

Statistical methods are well developed for estimating the area under the receiver operating characteristic curve (AUC) based on a random sample where the gold standard is available for every subject in the sample, or a two‐phase sample where the gold standard is ascertained only at the second phase for a subset of subjects sampled using fixed sampling probabilities. However, the methods based on a two‐phase sample do not attempt to optimize the sampling probabilities to minimize the variance of AUC estimator. In this paper, we consider the optimal two‐phase sampling design for evaluating the performance of an ordinal test in classifying disease status. We derived the analytic variance formula for the AUC estimator and used it to obtain the optimal sampling probabilities. The efficiency of the two‐phase sampling under the optimal sampling probabilities (OA) is evaluated by a simulation study, which indicates that two‐phase sampling under OA achieves a substantial amount of variance reduction with an over‐sample of subjects with low and high ordinal levels, compared with two‐phase sampling under proportional allocation (PA). Furthermore, in comparison with an one‐phase random sampling, two‐phase sampling under OA or PA have a clear advantage in reducing the variance of AUC estimator when the variance of diagnostic test results in the disease population is small relative to its counterpart in nondisease population. Finally, we applied the optimal two‐phase sampling design to a real‐world example to evaluate the performance of a questionnaire score in screening for childhood asthma.
Iodination of Isoquinoline by Trifluoromethanesulfonic Acid
Authors: Xu Peng , He Xia‐Li , Zhang Ying‐Yang , Sun Xiao‐Nan , Bai Ji‐Rong , Zhou Pin , Zhou Quan‐Fa
Published: November 2020

In this paper, we reported an unprecedented iodination of isoquinolines with high regioselectivity using N‐Iodosuccinimide (NIS) to give 5‐iodoisoquinoline. During the reaction, CF3SO3H is the key promoter to the success of this reaction. The methodology exhibited good yields and high functional group compatibility.
Glycerol Carbonate Synthesis Using Poly(1‐alkyl‐3‐vinylimidazolium) Imidazolates as Catalysts
Authors: Guzmán‐Lucero Diego , Castillo‐Acosta Silvia , Martínez‐Palou Rafael
Published: November 2020

Four poly(ionic liquid)s were synthesized from 1‐alkyl‐3‐vinylimidazolium bromide with alkyl chains consisting of 2, 4, 8, and 12 carbon atoms and evaluated as catalysts for glycerol carbonate synthesis through the reaction between pure and crude glycerol with dimethyl carbonate. All the catalysts showed good performance even with crude glycerol obtained from biodiesel production, achieving conversions greater than 90 % and selectivities above 80 % at 70 °C. The catalysts were evolved at 5 and 10 mol.%, and no noticeable effect on conversion and selectivity were observed due to the concentration increase. A mechanism was proposed to understand the effect of the anion and polymer properties on the catalytic performance. The catalysts were regenerated and reused in two reaction cycles without significant catalytic activity loss.
The Effect of Rutin on Starch Hydrogels/Aerogels Made from Electrolyzed Barley Flour
Authors: Ekaette Idaresit , Saldaña Marleny D. A.
Published: November 2020

Starch can be modified by chemical and physical methods. In this study, electrolysis of barley flour (>99% amylopectin) suspension (1:6 w/w in water) is investigated to understand the effect of electrical voltage (5–30 V) and platinum electrode length (4–8 cm) on the structural properties of barley starch isolates, its aerogels, and hydrogels made in the presence of rutin. After 30 min of electrolysis treatment, the isolated starches have higher magnesium (2.9%) and phosphorus(13.0%) contents compared to 0.8% and 3.5% of the alkali‐treated starch, respectively. The Fourier Transform Infrared analysis shows that electrolysis enhances starch crystallinity, which is reduced by rutin. Also, high water absorption capacity (1659 ± 24%) is observed for electrolyzed starch (15 V/8 cm) aerogels but is reduced by the addition of rutin to 566 ± 70%. All electrolyzed starch hydrogels are opaque and firm (25 g) after 40 days at 23 °C. Green electrolysis process offers chemical (metal complexation) and physical (crystallinity) modification for barley starch.
Integrable systems and the boundary dynamics of higher spin gravity on AdS3
Authors: Ojeda Emilio , Pérez Alfredo
Published: November 2020

Abstract

We introduce a new set of boundary conditions for three-dimensional higher spin gravity with gauge group SL(3, ℝ) × SL(3, ℝ), where its dynamics at the boundary is described by the members of the modified Boussinesq integrable hierarchy. In the asymptotic region the gauge fields are written in the diagonal gauge, where the excitations go along the generators of the Cartan subalgebra of sl(3, ℝ) ⊕ sl(3, ℝ). We show that the entire integrable structure of the modified Boussinesq hierarchy, i.e., the phase space, the Poisson brackets and the infinite number of commuting conserved charges, are obtained from the asymptotic structure of the higher spin theory. Furthermore, its known relation with the Boussinesq hierarchy is inherited from our analysis once the asymptotic conditions are re-expressed in the highest weight gauge. Hence, the Miura map is recovered from a purely geometric construction in the bulk. Black holes that fit within our boundary conditions, the Hamiltonian reduction at the boundary, and the generalization to higher spin gravity with gauge group SL(N, ℝ) × SL(N, ℝ) are also discussed.
4-point function from conformally coupled scalar in AdS6
Authors: Oh Jae-Hyuk
Published: November 2020

Abstract

We explore conformally coupled scalar theory in AdS6 extensively and their classical solutions by employing power expansion order by order in its self-interaction coupling λ. We describe how we get the classical solutions by diagrammatic ways which show general rules constructing the classical solutions. We study holographic correlation functions of scalar operator deformations to a certain 5-dimensional conformal field theory where the operators share the same scaling dimension ∆ = 3, from the classical solutions. We do not assume any specific form of the micro Lagrangian density of the 5-dimensional conformal field theory. For our solutions, we choose a scheme where we remove co-linear divergences of momenta along the AdS boundary directions which frequently appear in the classical solutions. This shows clearly that the holographic correlation functions are free from the co-linear divergences. It turns out that this theory provides correct conformal 2- and 3- point functions of the ∆ = 3 scalar operators as expected in previous literature. It makes sense since 2- and 3- point functions are determined by global conformal symmetry not being dependent on the details of the conformal theory. We also get 4-point function from this holographic model. In fact, it turns out that the 4-point correlation function is not conformal because it does not satisfy the special conformal Ward identity although it does dilation Ward identity and respect SO(5) rotation symmetry. However, in the co-linear limit that all the external momenta are in a same direction, the 4-point function is conformal which means that it satisfy the special conformal Ward identity. We inspect holographic n-point functions of this theory which can be obtained by employing a certain Feynman-like rule. This rule is a construction of n-point function by connecting l-point functions each other where l < n. In the co-linear limit, these n-point functions reproduce the conformal n-point functions of ∆ = 3 scalar operators in d = 5 Euclidean space addressed in arXiv:2001.05379.
Reference system origin and scale realization within the future GNSS constellation “Kepler”
Authors: Glaser Susanne , Michalak Grzegorz , Männel Benjamin , König Rolf , Neumayer Karl Hans , Schuh Harald
Published: November 2020

Currently, Global Navigation Satellite Systems (GNSS) do not contribute to the realization of origin and scale of combined global terrestrial reference frame (TRF) solutions due to present system design limitations. The future Galileo-like medium Earth orbit (MEO) constellation, called “Kepler”, proposed by the German Aerospace Center DLR, is characterized by a low Earth orbit (LEO) segment and the innovative key features of optical inter-satellite links (ISL) delivering highly precise range measurements and of optical frequency references enabling a perfect time synchronization within the complete constellation. In this study, the potential improvements of the Kepler constellation on the TRF origin and scale are assessed by simulations. The fully developed Kepler system allows significant improvements of the geocenter estimates (realized TRF origin in long-term). In particular, we find improvements by factors of 43 for theZand of 8 for theXandYcomponent w. r. t. a contemporary MEO-only constellation. Furthermore, the Kepler constellation increases the reliability due to a complete de-correlation of the geocenter coordinates and the orbit parameters related to the solar radiation pressure modeling (SRP). However, biases in SRP modeling cause biased geocenter estimates and the ISL of Kepler can only partly compensate this effect. The realized scale enabling all Kepler features improves by 34% w. r. t. MEO-only. The dependency of the estimated satellite antenna phase center offsets (PCOs) upon the underlying TRF impedes a scale realization by GNSS. In order to realize the network scale with 1 mm accuracy, the PCOs have to be known within 2 cm for the MEO and 4 mm for the LEO satellites. Independently, the scale can be realized by estimating the MEO PCOs and by simultaneously fixing the LEO PCOs. This requires very accurate LEO PCOs; the simulations suggest them to be smaller than 1 mm in order to keep scale changes below 1 mm.