bluuebunny/crossref_metadata_2025 huggingface dataset:
Distance‐based reconstruction of protein quaternary structures from inter‐chain contacts
Authors: Soltanikazemi Elham , Quadir Farhan , Roy Raj S , Guo Zhiye , Cheng Jianlin
Published: October 2021

Predicting the quaternary structure of protein complex is an important problem. Inter‐chain residue‐residue contact prediction can provide useful information to guide the ab initio reconstruction of quaternary structures. However, few methods have been developed to build quaternary structures from predicted inter‐chain contacts. Here, we develop the first method based on gradient descent optimization (GD) to build quaternary structures of protein dimers utilizing inter‐chain contacts as distance restraints. We evaluate GD on several datasets of homodimers and heterodimers using true/predicted contacts and monomer structures as input. GD consistently performs better than both simulated annealing and Markov Chain Monte Carlo simulation. Starting from an arbitrarily quaternary structure randomly initialized from the tertiary structures of protein chains and using true inter‐chain contacts as input, GD can reconstruct high‐quality structural models for homodimers and heterodimers with average TM‐score ranging from 0.92 to 0.99 and average interface root mean square distance from 0.72 Å to 1.64 Å. On a dataset of 115 homodimers, using predicted inter‐chain contacts as restraints, the average TM‐score of the structural models built by GD is 0.76. For 46% of the homodimers, high‐quality structural models with TM‐score ≥ 0.9 are reconstructed from predicted contacts. There is a strong correlation between the quality of the reconstructed models and the precision and recall of predicted contacts. Only a moderate precision or recall of inter‐chain contact prediction is needed to build good structural models for most homodimers. Moreover, GD improves the quality of quaternary structures predicted by AlphaFold2 on a Critical Assessment of Techniques for Protein Structure Prediction–Critical Assessments of Predictions of Interactions dataset.
Controlled‐release granules for the delivery of pymetrozine to roots of transplanted rice seedlings with decreased phytotoxicity and enhanced control efficacy against paddy planthoppers
Authors: Hao Fengjiao , Liu Xiaohui , Yuan Huizhu , Yan Xiaojing , Yang Daibin
Published: October 2021

BACKGROUND

Seedling transplanting is widely used in rice cultivation. Systemic insecticides can be delivered to seedling roots by application through rice seedling boxes before transplanting. The most challenging aspect is to provide long‐term control of rice pests and overcome transplanting shock. Precise control of the release rate of insecticide can meet these requirements. Pymetrozine is a promising insecticide used for the control of rice planthoppers resistant to neonicotinoid insecticides.

RESULTS

In this study, four controlled‐release granular formulations of pymetrozine were prepared based on a mixture of cost‐effective and biodegradable kaolin and xanthan gum or a mixture of calcined kaolin and xanthan gum. Fluorescence images showed that different 3D networks were formed in the four granular formulations. The four granular formulations showed different water uptake rates and release rates of pymetrozine in water. Pymetrozine release rate was positively correlated with the water uptake capacity, rather than the water uptake rate of granules. Diffusion was the dominant mechanism for the release of pymetrozine from granules. Pymetrozine was found to reduce the survival of transplanted rice seedlings suffering from transplanting shock. Incorporating pymetrozine in controlled‐release granules alleviated this phytotoxicity. The survival rate of rice seedlings in granular pymetrozine treatments ranged 68.8–85.0%, whereas the survival rate was <50% for powdered pymetrozine treatments. Additionally, four prepared granule formulations had a significant control effect on rice planthopper with efficacies ranging from 76.7% to 98.0% 40 days after seedling box treatment.

CONCLUSIONS

The granule with an intermediate release rate of pymetrozine was shown to be more suitable for seedling box treatment than field application and traditional liquid spraying for the long‐term control of paddy planthoppers. © 2021 Society of Chemical Industry.
Confirmed polyphyly, generic recircumscription and typification of Dysoxylum (Meliaceae), with revised disposition of currently accepted species
Authors: Holzmeyer Laura , Hauenschild Frank , Mabberley David J. , Muellner‐Riehl Alexandra N.
Published: October 2021

The hypothesis that Dysoxylum (Meliaceae), as currently circumscribed, is polyphyletic is tested. Analyses based on nuclear ribosomal ITS, ETS, the plastid trnL‐trnF intron and intergenic spacer, as well as the rps15‐ycf1 intergenic spacer support this hypothesis. Six strongly supported clades within Dysoxylum s.l. were recovered, in large part supporting the classification of Harms. Based on the largest molecular phylogenetic tree hitherto assembled, and morphological considerations, a revised disposition of 94 currently recognized Dysoxylum species, is presented, reinstating the genera Didymocheton, Epicharis, Goniocheton, Prasoxylon and Pseudocarapa. The first valid publication of the generic name Dysoxylum is identified, and it is typified with D. macrocarpum. Forty‐three new combinations at species level and two at infraspecific are proposed; Didymocheton nutans, Dysoxylum alatum, D. pachyphyllum, Epicharis, Trichilia spectabilis and T. alliacea (second step) are lectotypified.
Insights into structure of metal nanomaterials in reactive environments
Authors: Han Yu , Duan Xinyi , Zhu Beien , Gao Yi
Published: October 2021

Metal nanomaterials are of great importance in the field of heterogeneous catalysis. In general, the catalytic performances of metal nanomaterials are determined by the structures. However, far from being static, dynamic reconstruction of metal nanomaterials constantly occurs in reactive environments, resulting in different catalytic activities. This review summarizes the latest progress of theoretical understanding of the driving forces for the structural changes. In the first part, some typical ex situ and in situ experimental observations of catalysts in reactive environments are briefly introduced, including the changes of shape, size, and alloy composition of metal or bimetallic nanomaterials. Next, we review the state‐of‐the‐art advancement of the theoretical calculations and simulation methods to understand these experimental observations, and categorize them according to the different driving forces, for example, the oxidation and reduction effects, adsorption‐induced reconstruction. Moreover, this review provides many examples for the quantitative agreement between theoretical modeling and experimental observations, which indicates the potential applications for the rational design of high‐performance metal nanocatalysts in real reactions.

This article is categorized under:

Structure and Mechanism > Molecular Structures

Structure and Mechanism > Computational Materials Science
From Charged Particles to Plasma Physics
Authors: Koskinen Hannu E. J. , Kilpua Emilia K. J.
Published: October 2021

In this chapter we move from single particle motion to the statistical description of a large number of charged particles, the plasma. This discussion provides the basis for the rich flora of plasma waves that are essential for understanding the sources and losses of radiation belt particles through wave–particle interactions.
Drivers and Properties of Waves in the Inner Magnetosphere
Authors: Koskinen Hannu E. J. , Kilpua Emilia K. J.
Published: October 2021

How different wave modes are driven, is a central issue in space plasma physics. A practical problem is that often only indirect evidence of the driver can be identified in observations. The plasma environment is complex and variable and already a small difference in background or initial conditions may lead to widely different observable outcomes. In this chapter we discuss drivers of waves causing acceleration, transport and loss of radiation belt particles, whereas Chap. 6 discusses these effects in detail. We note that while this division is motivated in a textbook, it is somewhat artificial and the growth of the waves and their consequences often need to be studied together. For example, a whistler-mode wave can grow from thermal fluctuations due to gyro-resonant interactions until a marginally stable state is reached or nonlinear growth takes over. The growing wave starts to interact with different particle populations leading to damping or further growth of the wave. The fluxes of the higher-energy radiation belt particles are, however, small compared to the lower-energy background population, which supports the wave. Thus their effects on the overall wave activity usually remain small, although the waves can have drastic effect on higher-energy populations. Consequently, these two chapters should be studied together.
Particle Source and Loss Processes
Authors: Koskinen Hannu E. J. , Kilpua Emilia K. J.
Published: October 2021

The main sources of charged particles in the Earth’s inner magnetosphere are the Sun and the Earth’s ionosphere. Furthermore, the Galactic cosmic radiation is an important source of protons in the inner radiation belt, and roughly every 13 years, when the Earth and Jupiter are connected via the interplanetary magnetic field, a small number of electrons originating from the magnetosphere of Jupiter are observed in the near-Earth space. The energies of solar wind and ionospheric plasma particles are much smaller than the particle energies in radiation belts. A major scientific task is to understand the transport and acceleration processes leading to the observed populations up to relativistic energies. Equally important is to understand the losses of the charged particles. The great variability of the outer electron belt is a manifestation of the continuously changing balance between source and loss mechanisms, whereas the inner belt is much more stable.
Full NLO predictions for vector-boson scattering into Z bosons and its irreducible background at the LHC
Authors: Denner Ansgar , Franken Robert , Pellen Mathieu , Schmidt Timo
Published: October 2021

Abstract

Vector-boson scattering into two Z bosons at the LHC is a key channel for the exploration of the electroweak sector of the Standard Model. It allows for the full reconstruction of the scattering process but at the price of a huge irreducible background. For the first time, we present full next-to-leading-order predictions for pp → e+e−μ+μ−jj + X including all electroweak and QCD contributions for vector-boson scattering signal and irreducible background. The results are presented in the form of cross sections and differential distributions. A particular emphasis is put on the newly computed ($$ {\alpha}_{\mathrm{s}}^2 $$

α
s
2

α5) corrections.
Branes, fermions, and superspace dualities
Authors: Retolaza Ander , Rogers Jamie , Tatar Radu , Tonioni Flavio
Published: October 2021

Abstract

We use the superspace formulation of supergravity in eleven and ten dimensions to compute fermion couplings on the M2-brane and on Dp-branes. In this formulation fermionic couplings arise naturally from the θ-expansion of the superfields from which the brane actions are constructed. The techniques we use and develop can in principle be applied to determine the fermionic couplings to general background fields up to arbitrary order. Starting with the superspace formulation of 11-dimensional supergravity, we use a geometric technique known as the ‘normal coordinate’ method to obtain the θ-expansion of the M2-brane action. We then present a method which allows us to translate the knowledge of fermionic couplings on the M2-brane to knowledge of such couplings on the D2-brane, and then to any Dp-brane. This method is based on superspace generalizations of both the compactification taking 11-dimensional supergravity to type IIA supergravity and the T-duality rules connecting the type IIA and type IIB supergravities.
Viewpoint placement for inspection planning
Authors: Gospodnetić Petra , Mosbach Dennis , Rauhut Markus , Hagen Hans
Published: October 2021

Inspection planning approaches so far have focused on automatically obtaining an optimal set of viewpoints required to cover a given object. While research has provided interesting results, the automatic inspection planning has still not been made a part of the everyday inspection system development process. This is mostly because the plans are difficult to verify and it is impossible to compare them to laboratory-developed plans. In this work, we give an overview of available generate-and-test approaches, evaluate their results for various objects and finally compare them to plans created by inspection system development experts. The comparison emphasizes both benefits and downsides of automated approaches and highlights problems which need to be tackled in the future in order to make the automated inspection planning more applicable.
GC/EI-MS method for the determination of phytosterols in vegetable oils
Authors: Schlag Sarah , Huang Yining , Vetter Walter
Published: October 2021

Sterols are a highly complex group of lipophilic compounds present in the unsaponifiable matter of virtually all living organisms. In this study, we developed a novel gas chromatography with mass spectrometry selected ion monitoring (GC/MS-SIM) method for the comprehensive analysis of sterols after saponification and silylation. A new referencing system was introduced by means of a series of saturated fatty acid pyrrolidides (FAPs) as internal standards. Linked with retention time locking (RTL), the resulting FAP retention indices (RIFAP) of the sterols could be determined with high precision. The GC/MS-SIM method was based on the parallel measurement of 17 SIM ions in four time windows. This set included eight molecular ions and seven diagnostic fragment ions of silylated sterols as well as two abundant ions of FAPs. Altogether, twenty molecular ions of C27- to C31-sterols with 0–3 double bonds were included in the final method. Screening of four common vegetable oils (sunflower oil, hemp oil, rapeseed oil, and corn oil) enabled the detection of 30 different sterols and triterpenes most of which could be identified.

Graphical abstract
Quorum quenchers affect the virulence regulation of non-mucoid, mucoid and heavily mucoid biofilms co-cultured on cell lines
Authors: Kalgudi Rachith , Tamimi Roya , Kyazze Godfrey , Keshavarz Tajalli
Published: October 2021

Biofilm formation conferring pathogenicity is a survival strategy for Pseudomonas aeruginosa. P. aeruginosa’s virulence may differ due to differences in host-microbe interactions and the growth environment. The epithelial cell line within the respiratory system and the keratinocytes on the skin form the first physical barrier of defence. P. aeruginosa spp. biofilm formation and virulence factor secretion with and without quorum quenching (QQ) treatment was studied in co-culture using A549 and HaCaT cell lines; pyocyanin and rhamnolipid productions and elastolytic activity as virulence factors were quantified by independent assays. Biofilm formation was evaluated under dynamic conditions by quantifying total carbohydrates, alginate, proteins and eDNA. A sandwich ELISA was performed to study IL-8 secretion by the epithelial cells. The difference in gene expression of the quorum sensing (QS) and virulence factors between strains during individual and combination treatments was analysed by qPCR. Combination treatment by farnesol and tyrosol was more effective against P. aeruginosa biofilms when grown in co-cultures. The strain RBHi was found to be 3 to 4 times more virulent compared to PAO1 and NCTC 10,662, respectively, and combination treatment was more effective against RBHi strain when grown in co-culture with A549 cell line. The addition of quorum quenchers (QQs) individually and in combination reduced IL-8 secretion by A549 cells. Relative mRNA expression showed upregulation of the QS genes and virulence factors. Co-culture of P. aeruginosa and HaCaT cell line showed a general decrease in gene expression, especially in the case of P. aeruginosa RBHi when treated with farnesol and tyrosol combination.

Key points

• Differentiating the interactions of biofilm formed by different phenotypes of P. aeruginosa, NCTC 10,662 (non-mucoid), PAO1 (semi mucoid) and RBHi (heavily mucoid).

• Biofilm formed by these P. aeruginosa strains on two commonly afflicted tissues represented by A549 (lung) and HaCaT (skin) cell lines.

• Anti-biofilm/anti-virulence roles of quorum quenchers, tyrosol and farnesol in co-cultures.
Evaluation of factors influencing the eradication of annual bluegrass (Poa annua L.) from Point Thomas Oasis, King George Island, Maritime Antarctica
Authors: Galera Halina , Znój Anna , Chwedorzewska Katarzyna J. , Wódkiewicz Maciej
Published: October 2021

From 2014 to 2018, we performed three on-site eradication actions of Poa annua occurring on King George Island. We aimed at (1) assessing the population response to eradication efforts, (2) evaluating the campaign success, and (3) identifying the most important factors likely to influence eradication success. The first partial eradication action reduced the initial population of around 1500 tussocks to around 1100 tussocks with less than 4 m2 canopy area. In treated locations, we observed high re-establishment where no soil removal was performed, while only a marginal recruitment where plants were removed with associated soil. In the 2017/2018 season, we recorded over 1800 tussocks, which all were subsequently removed. Performing eradication according to the prescribed scheme (plant and soil removal) should result in eradication success. We evaluate that the probability of successful eradication of the population is high because of small size and number of separate infestation sites, complete spatial and ecological isolation of infestation, high accessibility of target population, and well-known current location of infestation sites. The factors which reduce the likelihood of eradication success are long reaction time, high adaptation of the species to new environmental conditions, and high propagule longevity. Reinvasion possibility and frequent personnel changes in the eradication team resulting in varying levels of personnel awareness and experience may also negatively influence eradication success. An invasion, not managed for many years, may still be targeted, but its successful eradication depends on the “human factor”, which may drive the success of the action in opposing directions.
Effects of Arctic sea ice in autumn on extreme cold events over the Tibetan Plateau in the following winter: possible mechanisms
Authors: Bi Miao , Li Qingquan , Yang Song , Guo Dong , Shen Xinyong , Sun Xiaoting
Published: October 2021

Extreme cold events (ECEs) on the Tibetan Plateau (TP) exert serious impacts on agriculture and animal husbandry and are important drivers of ecological and environmental changes. We investigate the temporal and spatial characteristics of the ECEs on the TP and the possible effects of Arctic sea ice. The daily observed minimum air temperature at 73 meteorological stations on the TP during 1980–2018 and the BCC_AGCM3_MR model are used. Our results show that the main mode of winter ECEs over the TP exhibits the same spatial variation and interannual variability across the whole region and is affected by two wave trains originating from the Arctic. The southern wave train is controlled by the sea ice in the Beaufort Sea. It initiates in the Norwegian Sea, and then passes through the North Atlantic Ocean, the Arabian Sea, and the Bay of Bengal along the subtropical westerly jet stream. It enters the TP from the south and brings warm, humid air from the oceans. By contrast, the northern wave train is controlled by the sea ice in the Laptev Sea. It originates from the Barents and Kara seas, passes through Lake Baikal, and enters the TP from the north, bringing dry and cold air. A decrease in the sea ice in the Beaufort Sea causes positive potential height anomalies in the Arctic. This change enhances the pressure gradient between the Artic and the mid-latitudes, leading to westerly winds in the northern TP, which block the intrusion of cold air into the south. By contrast, a decrease in the sea ice in the Laptev Sea causes negative potential height anomalies in the Artic. This change reduces the pressure gradient between the Artic and the mid-latitudes, leading to easterly winds to the north of the TP, which favors the southward intrusion of cold polar air. A continuous decrease in the amount of sea ice in the Beaufort Sea would reduce the frequency of ECEs over the TP and further aggravate TP warming in winter.
Japanese pediatric and adult atomic bomb survivor dosimetry: potential improvements using the J45 phantom series and modern Monte Carlo transport
Authors: Griffin Keith T. , Sato Tatsuhiko , Funamoto Sachiyo , Chizhov Konstantin , Domal Sean , Paulbeck Colin , Bolch Wesley , Cullings Harry M. , Egbert Stephen , Endo Akira , Hertel Nolan , Lee Choonsik
Published: October 2021

The radiation exposure estimates for the atomic bomb survivors at Hiroshima and Nagasaki have evolved over the past several decades, reflecting a constant strive by the Radiation Effects Research Foundation (RERF) to provide thorough dosimetry to their cohort. Recently, a working group has introduced a new series of anatomical models, called the J45 phantom series, which improves upon those currently used at RERF through greater age resolution, sex distinction, anatomical realism, and organ dose availability. To evaluate the potential dosimetry improvements that would arise from their use in an RERF Dosimetry System, organ doses in the J45 series are evaluated here using environmental fluence data for 20 generalized survivor scenarios pulled directly from the current dosimetry system. The energy- and angle-dependent gamma and neutron fluences were converted to a source term for use in MCNP6, a modern Monte Carlo radiation transport code. Overall, the updated phantom series would be expected to provide dose improvements to several important organs, including the active marrow, colon, and stomach wall (up to 20, 20, and 15% impact on total dose, respectively). The impacts were especially significant for neutron dose estimates (up to a two-fold difference) and within organs which were unavailable in the previous phantom series. These impacts were consistent across the 20 scenarios and are potentially even greater when biological effectiveness of the neutron dose component is considered. The entirety of the dosimetry results for all organs are available as supplementary data, providing confident justification for potential future DS workflows utilizing the J45 phantom series.
Prognostic implications of surgical specimen quality on the oncological outcomes of open and laparoscopic surgery in mid and low rectal cancer
Authors: Pla-Martí Vicente , Martín-Arévalo José , Moro-Valdezate David , García-Botello Stephanie , Pérez-Santiago Leticia , Lapeña-Rodríguez María , Bauzá-Collado Mireia , Huerta Marisol , Roselló-Keränen Susana , Espí-Macías Alejandro
Published: October 2021

Purpose

Determine differences in pathologic outcomes between laparoscopic (LAP) and open surgery (OPEN) for mid and low rectal cancer and its influence in long-term oncological outcomes.

Methods

Retrospective case matched study at a tertiary institution. Adults with rectal cancer below 12 cm from the anal verge operated between January 2005 and September 2018 were included. Primary outcomes were quality of specimen, overall survival (OS), disease-free survival (DFS), and local recurrence (LR).

Results

The study included 311 patients, LAP = 108 (34.7%), OPEN = 203 (65,3%). A successful resection was accomplished in 81% of the LAP group and in 84.5% of the OPEN (p = 0.505). No differences in free distal margin (LAP = 100%, OPEN = 97.5%; p = 0.156) or circumferential resection margin (LAP = 95.2%, OPEN = 93.2%; p = 0.603) were observed. However, mesorectum quality was incomplete in 16.2% for LAP and in 8.1% for OPEN (p = 0.048). OS was 91.1% for LAP and 81.1% for OPEN (p = 0.360). DFS was 81.4% for LAP and 77.5% for OPEN (p = 0.923). Overall, LR was 2.3% without differences between groups.

Conclusions

Laparoscopic approach could affect the quality of surgical specimen due to technical aspects. However, if principles of surgical oncology are respected, minor pathologic differences in the quality of the mesorectum may not influence on the long-term oncologic outcomes.
The pilot study of group robot intervention on pediatric inpatients and their caregivers, using ‘new aibo’
Authors: Tanaka Kyoko , Makino Hitoshi , Nakamura Kazuaki , Nakamura Akio , Hayakawa Maoko , Uchida Hajime , Kasahara Mureo , Kato Hitoshi , Igarashi Takashi
Published: October 2021

The study on robot-assisted therapy in a pediatric field has not been applied sufficiently in clinical settings. The purpose of this pilot study is to explore the potential therapeutic effects of a group robot intervention (GRI), using dog-like social robot (SR) ‘aibo’ in pediatric ward. GRI by aibo was conducted for those children with chronic illness (127 in total) who are hospitalized in National Centre for Child Health and Development (NCCHD), and their caregivers (116 in total), from March to April 2018. The observer made structured behavioural observation records, based on which qualitative research on the features of their words and conducts, were carried out. As a result, first, during the GRI, about 2/3 of total expression by children were positive, while about 1/4 were negative or inappropriate. On the other hand, as seen in the ‘change’ group, those children who had originally responded with negative expression eventually came to express positive expression, while getting involved in a ternary relationship or participating in a session more than once. Secondly, as for the expression from the caregivers during the GRI, active expressions such as ‘participation’ and ‘exploration’ accounted for the 2/3, while 1/3 turned out to be rather placid expressions such as ‘watch over’ or ‘encourage.’

Conclusion: There has not been any precedent study on the features of words and conducts expressed by patients and their caregivers during the GRI by aibo. The outcome suggests that aibo could possibly be used as a tool for group robot-assisted therapy in the pediatric treatment setting.

What is Known:• The study on robot-assisted therapy in a pediatric field has only just begun.• Though many kinds of social robot have been reportedly used so far, none has yet to be applied in clinical settings

What is New:• Our study revealed the features of words and behaviour expressed by the patients and their caregivers, when dog-like social robot ‘aibo’ was used for a group robot intervention in the pediatric ward.• The outcome suggests that aibo could possibly be used as a tool for group robot-assisted therapy in the pediatric treatment setting.
Sink or float: microtextural controls on the fate of pumice deposition during the 2012 submarine Havre eruption
Authors: Mitchell Samuel J. , Fauria Kristen E. , Houghton Bruce F. , Carey Rebecca J.
Published: October 2021

Silicic submarine volcanic eruptions can produce large volumes of pumices that may rise buoyantly to the ocean surface and/or sink to the seafloor. For eruptions that release significant volumes of pumice into rafts, the proximal to medial submarine geologic record is thus depleted in large volumes of pumice that would have sedimented closer to source in any subaerial eruption. The 2012 eruption of Havre volcano, a submarine volcano in the Kermadec Arc, presents a unique opportunity to study the partitioning of well-constrained rafted and seafloor pumice. Macro- and microtextural analysis was performed on clasts from the Havre pumice raft and from coeval pumiceous seafloor units around the Havre caldera. The raft and seafloor clasts have indistinguishable macrotextures, componentry, and vesicularity ranges. Microtextural differences are apparent as raft pumices have higher vesicle number densities (109 cm−3 vs. 108 cm−3) and significantly lower pore space connectivity (0.3–0.95 vs. 0.9–1.0) than seafloor pumices. Porosity analysis shows that high vesicularity raft pumices required trapping of gas in the connected porosity to remain afloat, whereas lower vesicularity raft pumices could float just from gas within isolated porosity. Measurements of minimum vesicle throat openings further show that raft pumices have a larger proportion of small vesicle throats than seafloor pumices. Narrow throats increase gas trapping as a result of higher capillary pressures acting over gas–water interfaces between vesicles and lower capillary number inhibiting gas bubble escape. Differences in isolated porosity and pore throat distribution ultimately control whether pumices sink or float and thus whether pumice deposits are preserved or not on the seafloor.
Identifying missing links in the conceptualization of financial toxicity: a qualitative study
Authors: Lueckmann Sara L. , Schumann Nadine , Kowalski Christoph , Richter Matthias
Published: October 2021

Purpose

Financial toxicity can have a major impact on the quality of life of cancer survivors but lacks conceptual clarity and understanding of the interrelationships of the various aspects that constitute financial toxicity. This study aims to extract major drivers and mediators along the pathway from cancer-related costs to subjective financial distress from the patients’ experiences to establish a better understanding of financial toxicity as a patient-reported outcome.

Methods

Qualitative semistructured interviews with 39 cancer patients were conducted in Germany and addressed patient experiences with cancer-related financial burden and distress in a country with a statutory health care system. Transcripts were analyzed using content analysis.

Results

Several aspects of financial burden need to be considered to understand financial toxicity. The assessment of the ability to make ends meet now or in the future and the subjective evaluation of financial adjustments—namely, the burden of applied financial adjustments and the availability of financial adjustment options—mediate the connection between higher costs and subjective financial distress. Moreover, bureaucracy can influence financial distress through a feeling of helplessness during interactions with authorities because of high effort, non-traceable decisions, or one’s own lack of knowledge.

Conclusion

We identified four factors that mediate the impact of higher costs on financial distress that should be addressed in further studies and targeted by changes in policies and support measures. Financial toxicity is more complex than previously thought and should be conceptualized and understood more comprehensively in measurements, including the subjective assessment of available adjustment options and perceived burden of financial adjustments.
Carbon nanodot–based electrogenerated chemiluminescence biosensor for miRNA-21 detection
Authors: Gutiérrez-Gálvez Laura , García-Mendiola Tania , Gutiérrez-Sánchez Cristina , Guerrero-Esteban Tamara , García-Diego Cristina , Buendía Irene , García-Bermejo M. Laura , Pariente Félix , Lorenzo Encarnación
Published: October 2021

A simple carbon nanodot–based electrogenerated chemiluminescence biosensor is described for sensitive and selective detection of microRNA-21 (miRNA-21), a biomarker of several pathologies including cardiovascular diseases (CVDs). The photoluminescent carbon nanodots (CNDs) were obtained using a new synthesis method, simply by treating tiger nut milk in a microwave reactor. The synthesis is environmentally friendly, simple, and efficient. The optical properties and morphological characteristics of the CNDs were exhaustively investigated, confirming that they have oxygen and nitrogen functional groups on their surfaces and exhibit excitation-dependent fluorescence emission, as well as photostability. They act as co-reactant agents in the anodic electrochemiluminescence (ECL) of [Ru(bpy)3]2+, producing different signals for the probe (single-stranded DNA) and the hybridized target (double-stranded DNA). These results paved the way for the development of a sensitive ECL biosensor for the detection of miRNA-21. This was developed by immobilization of a thiolated oligonucleotide, fully complementary to the miRNA-21 sequence, on the disposable gold electrode. The target miRNA-21 was hybridized with the probe on the electrode surface, and the hybridization was detected by the enhancement of the [Ru(bpy)3]2+/DNA ECL signal using CNDs. The biosensor shows a linear response to miRNA-21 concentration up to 100.0 pM with a detection limit of 0.721 fM. The method does not require complex labeling steps, and has a rapid response. It was successfully used to detect miRNA-21 directly in serum samples from heart failure patients without previous RNA extraction neither amplification process.

Graphical abstract
Complete genome sequence of GII.9 norovirus
Authors: Zhang Zilong , Liu Danlei , Zhang Zilei , Tian Peng , Li Shenwei , Wu Qingping , Wang Dapeng , Tian Zhengan
Published: October 2021

Norovirus is recognized as one of the leading causes of acute gastroenteritis outbreaks. Genotype GII.9 was first detected in Norfolk, VA, USA, in 1997. However, the complete genome sequence of this genotype has not yet been determined. In this study, a complete genome sequence of GII.9[P7] norovirus, SCD1878_GII.9[P7], from a patient was determined using high-throughput sequencing and rapid amplification of cDNA ends (RACE) technology. The complete genome sequence of SCD1878_GII.9[P7] is 7544 nucleotides (nt) in length with a 3’ poly(A) tail and contains three open reading frames. Sequence comparisons indicated that SCD1878_GII.9[P7] shares 92.1%-92.3% nucleotide sequence identity with GII.P7 (AB258331 and AB039777) and 96.7%-97.4% identity with GII.9 (AY038599 and DQ379715). The results suggested that SCD1878_GII.9[P7] is a member of P genotype GII.P7 and G genotype GII.9. This viral sequence fills a gap at the whole-genome level for the GII.9 genotype.
Immersive audio-visual scene reproduction using semantic scene reconstruction from 360 cameras
Authors: Kim Hansung , Remaggi Luca , Dourado Aloisio , Campos Teofilo de , Jackson Philip J. B. , Hilton Adrian
Published: October 2021

As personalised immersive display systems have been intensely explored in virtual reality (VR), plausible 3D audio corresponding to the visual content is required to provide more realistic experiences to users. It is well known that spatial audio synchronised with visual information improves a sense of immersion but limited research progress has been achieved in immersive audio-visual content production and reproduction. In this paper, we propose an end-to-end pipeline to simultaneously reconstruct 3D geometry and acoustic properties of the environment from a pair of omnidirectional panoramic images. A semantic scene reconstruction and completion method using a deep convolutional neural network is proposed to estimate the complete semantic scene geometry in order to adapt spatial audio reproduction to the scene. Experiments provide objective and subjective evaluations of the proposed pipeline for plausible audio-visual VR reproduction of real scenes.
Characteristics and health care costs in patients with a diagnostic imaging for low back pain in Switzerland
Authors: Di Gangi Stefania , Bagnoud Christophe , Pichierri Giuseppe , Rosemann Thomas , Plate Andreas
Published: October 2021

Low back pain (LBP) is one of the most common musculoskeletal disorders worldwide and a frequent cause for health care utilization with a high economic burden. A large proportion of diagnostic imaging in patients with LBP is inappropriate and can cause more harm than good, which in turn can lead to higher health care costs. The aim of this study was to determine characteristics and health care costs for patients with a diagnostic imaging for LBP in Switzerland. Groupe Mutuel, one of the biggest health care insurance companies in Switzerland and covering approximately 12% of the population, provided data for this analysis. Patients were identified by diagnostic imaging for the lumbar spine in 2016 or 2017. The study period was 2015–2019, that is one year before and two years after the year of imaging. Regression analysis models were used to identify patient variables associated with higher health care costs. A total of 75,296 patients (57% female, mean age: 54.5 years) were included into the study. Magnetic resonance imaging was the most commonly used diagnostic method (44.3%). Patients generated annual mean health care costs of 518,488,470 CHF (466,639,621 Euro) in the whole observation period; 640 million CHF (576 million Euro) in the index year. Overall, costs for LBP patients were 72% higher compared with the costs of no LBP patients. Our findings confirm the economic burden of LBP and highlight the importance of ongoing efforts to improve prevention, diagnostics and patient care in patients with LBP.
Interspecific hybridization in natural sturgeon populations of the Eastern Black Sea: the consequence of drastic population decline?
Authors: Beridze Tamar , Boscari Elisa , Scheele Fleur , Edisherashvili Tamari , Anderson Cort , Congiu Leonardo
Published: October 2021

The eastern part of the Black Sea and its tributaries are suitable habitats for several sturgeon species, among which Acipenser gueldenstaedtii, A. stellatus, A. nudiventris, A. persicus, A. sturio, and H. huso are well documented. However, different threats have led these species to a dramatic decline, all of them are currently listed as Critically Endangered, and some Locally Extinct, in that area. We tested 94 wild sturgeon samples from the Black Sea and Rioni River by analyzing the mitochondrial Control Region and nuclear markers for hybrid identification. The data analyses (1) assessed mitochondrial diversity among samples, (2) identified their species, as well as (3) indicated instances of hybridization. The data collected, besides confirming a sharp decrease of catches of Beluga and Stellate sturgeon in recent years, also revealed four juvenile hybrids between Russian and Stellate sturgeon, providing the first evidence of natural interspecific hybridization in the Rioni. The present communication raises concerns about the status of sturgeon species in this area and underlines the urgent need for conservation programs to restore self-sustaining populations.
Osteogenic differentiation of rat bone mesenchymal stem cells cultured on poly (hydroxybutyrate-co-hydroxyvalerate), poly (ε-caprolactone) scaffolds
Authors: Rodrigues Ana A. , Batista Nilza A. , Malmonge Sônia M. , Casarin Suzan A. , Agnelli José Augusto M. , Santos Arnaldo R. , Belangero William D.
Published: October 2021

Bioresorbable biomaterials can fill bone defects and act as temporary scaffold to recruit MSCs to stimulate their differentiation. Among the different bioresorbable polymers studied, this work focuses on poly(hydroxybutyrate-co-hydroxyvalerate) (PHBV) and poly(ε-caprolactone) (PCL). Were prepared blends of PHBV and PCL to obtain PHBV based biomaterials with good tenacity, important for bone tissue repair, associated with biocompatible properties of PCL. This study assesses the viability of Vero cells on scaffolds of PHBV, PCL, and their blends and the osteogenic differentiation of mesenchymal stem cells (MSCs). Materials were characterized in surface morphology, DSC and Impact Strength (IS). Vero cells and MSCs were assessed by MTT assay, cytochemical and SEM analysis. MSC osteogenic differentiation was evaluated through alizarin red staining and ALP activity. We found some roughness onto surface materials. DSC showed that the blends presented two distinct melting peaks, characteristic of immiscible blends. IS test confirmed that PHBV-PCL blends is an alternative for increase the tenacity of PHBV. MTT assay showed cells with high metabolic activities on extract toxicity test, but with low activity in the direct contact test. SEM analysis showed spreading cells with irregular and flattened morphology on different substrates. Cytochemical study revealed that MSCs maintained their morphology, although in smaller number for MSCs. The development of nodules of mineralized organic matrix in MSC cultures was identified by alizarin red staining and osteogenic differentiation was confirmed by the quantification of ALP activity. Thus, our scaffolds did not interfere on viability of Vero cells or the osteogenic differentiation of MSCs.
Variational approach to relative entropies with an application to QFT
Authors: Hollands Stefan
Published: October 2021

We define a new divergence of von Neumann algebras using a variational expression similar in nature to Kosaki’s formula for Umegaki’s relative entropy. Our divergence satisfies several of the usual desirable properties, upper bounds the sandwiched Renyi entropy and reduces to the fidelity in a limit. As an illustration, we use the formula in quantum field theory to compute our divergence between the vacuum in a bipartite system and an “orbifolded”—in the sense of a conditional expectation—system in terms of the Jones index. We take the opportunity to point out an entropic certainty relation associated with an inclusion of von Neumann factors related to the relative entropy. This certainty relation has an equivalent formulation in terms of error correcting codes.
The Intriguing Relation Between Counterfactual Explanations and Adversarial Examples
Authors: Freiesleben Timo
Published: October 2021

The same method that creates adversarial examples (AEs) to fool image-classifiers can be used to generate counterfactual explanations (CEs) that explain algorithmic decisions. This observation has led researchers to consider CEs as AEs by another name. We argue that the relationship to the true label and the tolerance with respect to proximity are two properties that formally distinguish CEs and AEs. Based on these arguments, we introduce CEs, AEs, and related concepts mathematically in a common framework. Furthermore, we show connections between current methods for generating CEs and AEs, and estimate that the fields will merge more and more as the number of common use-cases grows.
Time trade-off with someone to live for: impact of having significant others on time trade-off valuations of hypothetical health states
Authors: Hansen Tonya Moen , Stavem Knut , Rand Kim
Published: October 2021

Background

The TTO task involves giving up life years, i.e. living a shorter life, to avoid an undesirable health state. Despite being a hypothetical task, some respondents take other life factors into account when completing the task. This study explored the effect of having children and/or a partner on TTO valuations of hypothetical EQ-5D-5L health states in a valuation study of the general population.

Methods

The study used TTO data collected in a Norwegian EQ-5D-5L valuation study in 2019–2020, by one-to-one pc-assisted interviews following the EQ-VT protocol. We used regression modelling to determine the effect of significant others (having children or a partner) on disutility per health state from the TTO valuations.

Results

430 respondents were included [mean age 43.8 (SD 15.9) years, 58% female, 48% with children, 68% with a partner, 25% with neither children nor partner]. Having children and/or a partner was associated with lowered willingness to trade life years translating to higher elicited health state utilities (p < 0.01).

Conclusion

Having significant others, or the lack of having significant others, was associated with respondents’ valuation of hypothetical health states using TTO, more so than traditional sampling variables such as age and sex. Inadequate representativeness in terms of having significant others could bias health state preference values in valuation studies.
The Impact of Household Assets on Child Well-being: Evidence from China
Authors: Qi Shaojie , Liu Hao , Hua Fengrui , Deng Xiangshu , Zhou Zheng
Published: October 2021

This study examined the impact of household assets on multiple dimensions of child well-being using data on 2,583 children aged 10–15 years and their families from the cross-sectional 2016 China Family Panel Studies survey. Household assets were measured as the value of housing assets, cash deposits and household durable goods. Child well-being was measured with 10 indicators in five dimensions: health, education, economic well-being, subjective well-being and family relationships. Multiple linear regression was applied to investigate whether household assets were predictive of child well-being. The results suggest that children living in households with relatively low levels of household assets have lower overall well-being than those living in families with higher levels of assets. The impacts of diverse household asset types on various aspects of children’s well-being are different. Additionally, the relationship between household assets and various dimensions of child well-being is different and unequal between rural and urban areas, as well as among the eastern, central, and western regions.
Wildfire burn scar encapsulation
Authors: Duarte Jorge A. , González Andrés D. , Gourley Jonathan J.
Published: October 2021

Wildfires burn annually across the United States (US), which threaten those in close proximity to them. Due to drastic alterations of soil properties and to the land surfaces by these fires, risks of flash floods, debris flows, and severe erosion increases for these areas, which can have catastrophic consequences for biota, people and property. Computational tools, such as the WildfireRain algorithm, have been designed and implemented to assess the potential occurrence of debris flows over burn scars. However, in order to efficiently operate these tools, they require independent, non-overlapping buffers around burned areas to be defined, which is not a trivial task. In this paper we consider the problem of efficiently subsetting the conterminous US (CONUS) domain into optimal subdomains around burn scars, aiming to enable domain-wide WildfireRain product outputs to be used for operations by the National Weather Service (NWS). To achieve this, we define the Object Encapsulation Problem, where burn scars are represented by single-cell objects in a gridded domain, and circular buffers must be constructed around them. We propose a Linear Programming (LP) model that solves this problem efficiently. Optimal results produced using this model are presented for both a simplified synthetic data set, as well as for a subset of burn scars produced by severe wildfires in 2012 over the CONUS.
Rescue liver re-transplantation after graft loss due to severe rejection in the setting of pre-transplant nivolumab therapy
Authors: Dehghan Yalda , Schnickel Gabriel T. , Hosseini Mojgan , Burgoyne Adam M. , Ajmera Veeral H. , Morris Gerald P. , Mendler Michel H. , Parekh Justin R. , Abushamat Farid , Vodkin Irine , Kono Yuko
Published: October 2021

Immune checkpoint inhibitors (ICI) have been used to treat hepatocellular carcinoma (HCC) since 2017. The safety of ICIs in the setting of solid organ transplantation remains controversial. When used in the post-transplant setting, ICIs have been associated with high allograft rejection rates, but there are few published reports on the use of ICIs prior to transplant. We present the first reported case of rescue liver re-transplantation after loss of the first allograft due to severe acute rejection with extensive hepatic necrosis in the setting of pre-transplant ICI therapy with the PD-1 inhibitor nivolumab. It is likely that the durable immune response triggered by nivolumab contributes to graft rejection, therefore extreme caution should be taken when using ICIs before transplant until further investigation has been conducted on their safety in the pre-transplant setting.