bluuebunny/crossref_metadata_2025 huggingface dataset:
Rh(II)‐mediated one‐pot synthesis of dihydrobenzofuran and spiro[2.5]oct‐1‐ene: Experimental and DFT studies
Authors: Hoque Mohammad Mazharol , Bari Md. Abdul , Khan Md. Wahab
Published: November 2021

This study represents an experimental and computational approach to investigate the rhodium‐catalyzed one‐pot synthesis of dihydrobenzofuran‐4‐one (DBF) and spiro[2.5]oct‐1‐ene (SOE) derivatives. Density functional theory (DFT) calculations were performed at B3LYP and M06‐2X level theory. For mechanistic studies, the calculation employing B3LYP/GenECP/LanL2DZ/6‐311++G(d,p) level of theory demonstrated that a [3 + 2] cycloaddition reaction between diazo compound and phenylacetylene (PhA) proceeds through a two‐step mechanism via a barrierless and highly exergonic process with relative free energy 73.61 kcal/mol to yield the kinetically favored DBF derivatives (50%–62.5%). In contrast, the assemble of SOE derivatives follows [2 + 1] cycloaddition between in situ generated cyclohexane‐1,3‐dione carbene‐2 and PhA, with the potential energy barrier 4.41 kJ/mol. Thermochemistry calculation disclosed that the cycloaddition reactions are spontaneous, and DBF (6a) is thermodynamically more stable than its constitutional isomer SOE (7a) by 42.59 kcal/mol. However, natural bond orbital (NBO), HOMO–LUMO energy gaps (4.62–4.89 eV), dipole moments, polarizability, first‐order hyperpolarizability, and global reactivity descriptors were calculated to understand products' structural features. Additionally, Merck Molecular Force Field (MMFF94), followed by the B3LYP level of theory, was applied to predict the relative stability for the various conformations of 6b and 7b. The Boltzmann weighted average 1H chemical shift computed by GIAO‐B3LYP/6‐311+(2d,p) method and UV‐Vis absorption calculated using time‐dependent density functional theory (TD‐DFT) agree with experimental results. Finally, the synthesis of DBF and SOE derivatives is herein illustrated.
Older cancer survivors living with financial hardship in China: A qualitative study of family perspectives
Authors: Su Mingzhu , Yao Nengliang , Liu Li , Cheng Joyce , Sun Xiaojie , Yue Hanlin , Zhang Jiajun
Published: November 2021

Objective

Financial hardship among older cancer survivors has not been well‐studied, despite its debilitating effects on their health and well‐being. The purpose of this study was to describe the lived experiences of Chinese older cancer survivors who have experienced financial hardship following a cancer diagnosis.

Methods

A qualitative study was conducted. Data was collected using in‐depth interviews with 21 older cancer survivors (aged ≥ 60) with financial hardship and 20 family caregivers in Shandong Province, China between August 2020 and January 2021. Data were analyzed using Colaizzi's phenomenological method.

Results

Four main themes emerged: (1) older survivors have insufficient ability to address cancer‐related costs; (2) financial transfers from adult children to older parents became prevalent after a cancer diagnosis; (3) cancer‐related financial worries and stress extended into children's families; (4) coping and adjustment strategies were used by the extended family. Traditional Confucian culture and the Chinese health care system considerably impacted the interpretation of financial hardship.

Conclusion

Both older cancer survivors and their adult children experienced financial distress impacted by filial piety in China. Strategies adapted to Confucian family values and the health care system are needed to address cancer‐related financial hardships.
Optimal structure determination from sub‐optimal diffraction data
Authors: Minor Wladek , Cymborowski Marcin , Borek Dominika , Cooper David R. , Chruszcz Maksymilian , Otwinowski Zbyszek
Published: November 2021

Herein we present the newest version of the HKL‐3000 system that integrates data collection, data reduction, phasing, model building, refinement, and validation. The system significantly accelerates the process of structure determination and has proven its high value for the determination of very high‐quality structures. The heuristic for choosing the best approach for every step of structure determination for various quality samples and diffraction data has been optimized. The latest modifications increase the likelihood of a successful structure determination with challenging data. The HKL‐3000 is a successor of HKL and HKL‐2000 programs. The use of the HKL family of programs has been reported for over 73,000 PDB deposits, that is, almost 50% of macromolecular structures determined with X‐ray diffraction.
NICE guidance on the management of acne vulgaris
Authors: Chaplin Steve
Published: November 2021

NICE recently published its first guideline on the management of acne vulgaris (NG198), which includes recommendations on its treatment in primary and specialist care as well as advice on the impact of the condition on mental health and wellbeing. This article provides a summary of the guidance.
The impact of chronic constipation in adults
Authors: Dowden Angela
Published: November 2021

Constipation affects nearly everybody from time to time. But when it becomes chronic, constipation is a more complicated condition that can often be misunderstood and cause those affected a lot of distress. This article examines why chronic constipation in adults is an underestimated condition, and outlines some potential solutions for better care.
What has Caenorhabditis elegans ever done for us?
Authors: Greener Mark
Published: November 2021

The nematode Caenorhabditis elegans has many features that make it an excellent model for biological and medical research. This article discusses how the worm is facilitating drug discovery, reducing the number of mammals used in research and helping to cut research costs.
Effect of cocrystallization due to bile acid on molecular‐ion sensitivity of biological phospholipids in Bi cluster time‐of‐flight secondary ion mass spectrometry measurements
Authors: Shishido Rie
Published: November 2021

Bi cluster time‐of‐flight secondary ion mass spectrometry (TOF‐SIMS) is a useful method for evaluating organic surfaces. However, its ability to detect large molecules is limited. One of the problems is that the sensitivities of macromolecules are lower than those of small molecules because larger molecules tend to exhibit lower ionization efficiencies and/or higher probabilities of fragmentation. Matrix‐enhanced (ME)‐SIMS is a sensitivity enhancement technique for intact molecular ions. The crystal structure of a mixed substance composed of an analyte and a matrix is known to affect the sensitivity of the analysis target. In this study, the effect of cocrystallization, which occurs due to the presence of bile acid, on the molecular‐ion sensitivity was investigated using Bi cluster TOF‐SIMS. Biological phospholipids and bile acids, which exhibit surfactant behaviors, were selected as the evaluated molecules and additives, respectively. The mass spectra indicated that the secondary‐ion yields of phospholipids with bile acid were substantially greater than those of the pristine lipid. Specifically, samples with an analyte/bile acid ratio of 1:100 achieved approximately 60–100‐fold sensitivity enhancement of [M + H]+ and [2M + H]+ molecular ions than the sensitivity achieved with the pristine samples. In the evaluation of molecular distribution, higher signal counts of intact ions were obtained from the cocrystallization area, although less‐fragmented ions were emitted from these regions. Consequently, the results indicate that the cocrystallization due to the presence of bile acid provides an effective crystal structure for facilitating emission of larger molecules.
CeO2‐TiO2 Hybid‐Nanotubes with Tunable Oxygen Vacancies as the Support to Confine Pt Nanoparticles for the Low‐Temperature Water‐Gas Shift Reaction
Authors: Chen Yaqian , Li Xiangnan , Li Juan , Du Yubing , Peng Quanming , Wu Liangpeng , Xinjun  , Li
Published: November 2021

Reducible oxides as supports have been demonstrated to improve the activity of Pt catalysts towards water‐gas shift (WGS) reaction. The Pt species anchored by the oxygen vacancies derived from these supports play as catalytic sites during low‐temperature WGS reaction. Herein, we introduced CeO2 to modify TiO2 nanotubes (TiO2NT) and prepared CeO2‐TiO2 hybid‐nanotubes ((CeO2)x(TiO2)1‐xNT, x=0.2, 0.4, 0.6) to confine Pt nanoparticles (NPs) as the efficient catalysts for the low‐temperature WGS reaction. Pt NPs confined in (CeO2)x(TiO2)1‐xNT catalysts exhibit higher WGS activity than that of the Pt NPs entrapped in pure TiO2NT (Pt‐in‐TiO2NT) and Pt/CeO2 catalysts throughout the entire reaction temperature range. Activity measurements coupled with the physicochemical characterization of catalysts suggest that the redox ability of PtOx species is positive correlated with WGS activity and oxygen vacancy adjacent to Pt (Pt‐Ov) serves as the active site for H2O dissociation and CO oxidation in WGS reaction.
Cu(I)‐Catalyzed Carboxylation of Aryl Boronic Acid with CO2
Authors: Zhou Rong , Yang MiLi , Li YuQin , Li DingBang
Published: November 2021

An efficient method for the carboxylation of CO2 with aryl boronic acid compounds under normal pressure has been developed. This method uses cheap Cu(I) as a catalyst and exhibits a good functional group tolerance. All substrates substituted by both electron‐withdrawing functional groups (carbonyl, ester, nitro, etc.) and electron‐donating groups (alkoxy, amide, phenyl, etc.) could give corresponding products in the satisfying yields.
Chiral Polyureas Derived Cinchona Alkaloids: Highly Efficient Bifunctional Organocatalysts for the Asymmetric Michael Addition Reaction
Authors: Abdelkawy Mahmoud A. , Davin Christopher , Aly El‐Saied A. , El‐Badawi Mahmoud A. , Itsuno Shinichi
Published: November 2021

Repetitive Mizoroki‐Heck (MH) coupling polymerization was used to create novel chiral polyureas with cinchona alkaloids in the main chain. Apart from two‐component polycondensation of cinchona urea dimers with diiodobenzene via MH reaction conditions, some chiral polyureas were easily polymerized under self polycondensation to yield the chiral polymers. The asymmetric Michael addition reaction was successfully carried out using chiral polymers derived cinchona urea. Interestingly, phenolic‐based chiral polymers served as heterogeneous catalysts for the enantioselective Michael reaction, with high catalytic activity and excellent enantioselectivities (up to 99 % ee). These polymeric catalysts were also stable, and they could be recycled and reused.
Study of the Secondary Heteroatoms Doping on Nitrogen‐Doped Carbon and Their Oxygen Reduction Reaction Performance Evaluation
Authors: Duraisamy Velu , Kumar Sakkarapalayam Murugesan Senthil
Published: November 2021

The dual heteroatom doped mesoporous carbon (MC) is an excellent substitute for platinum‐based catalyst in cathodic oxygen reduction reaction (ORR) of fuel cells. In this work, nitrogen (N) as the primary heteroatom doping, phosphorus (P), boron (B), and sulfur (S) as the secondary heteroatom doping are introduced in the MC framework. Santa barbara amorphous (SBA‐15) employed as the supporting material to investigate the secondary heteroatom doping effect on MC towards ORR performance. Compared with B and S doping, the P doping modifies the charge delocalization in the MC structure. In addition, it enhances the surface area (971 m2/g), defect sites (1.18), high pyridinic (28.72 %) and high graphitic content (44.42 %) thereby facilitated the remarkable ORR activity. Moreover, electrochemical studies proved that N and P dual doped mesoporous carbon (NPMC) has a better carrier concentration (5.58×1015 cm−3) and higher flat band potential (0.548 V vs RHE) which is confirmed by the Mott‐Schottky analysis. Further, ORR studies demonstrated that NPMC material exhibited more positive onset potential (0.86 V), two‐electron pathway, lower Tafel slope (63 mV/dec) as well as Rct (11 Ω/cm2). In addition, the resultant material is found to be highly active towards ORR with excellent methanol tolerance and stability.
Edge‐Mediated Annihilation of Vacancy Clusters in Monolayer Molybdenum Diselenide (MoSe2) under Electron Beam Irradiation
Authors: Zhang Xu , Zhang Xiang , Ajayan Pulickel M. , Wen Jianguo , Espinosa Horacio D.
Published: November 2021

Annihilation of vacancy clusters in monolayer molybdenum diselenide (MoSe2) under electron beam irradiation is reported. In situ high‐resolution transmission electron microscopy observation reveals that the annihilation is achieved by diffusion of vacancies to the free edge near the vacancy clusters. Monte Carlo simulations confirm that it is energetically favorable for the vacancies to locate at the free edge. By computing the minimum energy path for the annihilation of one vacancy cluster as a case study, it is further shown that electron beam irradiation and pre‐stress in the suspended MoSe2 monolayer are necessary for the vacancies to overcome the energy barriers for diffusion. The findings suggest a new mechanism of vacancy healing in 2D materials and broaden the capability of electron beam for defect engineering of 2D materials, a promising way of tuning their properties for engineering applications.
On the plastic design of high‐strength steel beams
Authors: Bartsch Helen , Eyben Felix , Schaffrath Simon , Feldmann Markus
Published: November 2021

Particularly efficient steel components can be designed by performing a plastic global analysis of a structure made of high‐strength steel (HSS) as well. However, plastic design of HSS structures is not embodied in current standards, which is why a broad research study was carried out to address different aspects of the use of HSS for plastic design. This paper deals with verified numerical investigations of the rotation capacity of HSS I‐girders considering realistic true stress‐strain curves, local plastic instability and damage mechanics approaches to predict ductile crack initiation. Various influences on the rotation capacity of HSS beams were assessed by varying flange and web slenderness ratios, material characteristics, system dimensions, stiffness of lateral supports and loading conditions so that recommendations for the plastic design of HSS girders can be given. It is apparent that, apart from the slenderness of the flange and the material properties, the slenderness of the web is one of the main influencing characteristics. The results show that the plastic design of HSS structures is possible when limits for cross‐section class 1 are more severe for HSS grades over S460 up to S690 compared with the current limits in EN 1993‐1‐1.
Optimization of the electrochemical reduction process and ORP effects in nitrate removal
Authors: Masoumbeigi Hossein , Gholami Foad , Yahyapour Seid Ali , Ghanizadeh Ghader
Published: November 2021

Nitrate contaminated water resources, a huge environmental problem for countries, including our own. This research aims to evaluate the efficiency of the electrochemical process for the removal of nitrate from the aqueous solution by direct and alternating current. Experiments were done by the Taguchi method, including electrode array, time exposure, voltage, pH, and the initial concentration of nitrate. Minitab 17 and SPSS 18 software were utilized to design and data analysis. In detail, the connection of the electrodes was monopolar, and the direct current (DC) has a greater efficiency as alternating current (AC) in the nitrate removal (p > 0.001). In AC, the nitrate initial concentration, voltage, electrodes material, contact time, and pH have the most effect on the nitrate removal. The optimized conditions for nitrate removal include Al‐Al electrode, pH of 7, a voltage of 30 V, and nitrate initial concentration of 100 mg/L with the contact of time 150 min. Selection of appropriate materials for electrodes construction, adequate voltage, and removal of intervention agents from aqueous solution led to greater removal efficiencies. The optimized conditions that can reduce the aqueous solution ORP with high speed and the electrochemical reactor efficiency for nitrate removal were increased.

Practitioner Points

Electrochemichal (EC) process is evaluated for treatment of nitrate wastewater for the first time.

High removal efficiency (over 95%) from nitrate wastewater was obtained.

Minimizing energy consumption and maximizing nitrate removal were simultaneously achieved in the integrated single EC process.
Global regularity for the 2D Oldroyd‐B model with fractional dissipation
Authors: Xie Qianqian , Ye Zhuan
Published: November 2021

This paper deals with the Cauchy problem for the two‐dimensional incompressible Oldroyd‐B model in the corotational case with fractional dissipation and , where . Our objective is to establish global regularity of the fractional Oldroyd‐B model with minimal amount of dissipation. The proof of the global regularity relies on the introduction of combined quantities, sharp lower bounds for the fractional dissipation, the De Giorgi‐Nash estimate and sharp upper bounds for the nonlinearities.
Impact of entropy optimized Darcy‐Forchheimer flow in MnZnFe2O4 and NiZnFe2O4 hybrid nanofluid towards a curved surface
Authors: Shah Faqir , Khan Sohail A. , Al‐Khaled Kamel , Khan M. Ijaz , Khan Sami Ullah , Shah Nehad Ali , Ali Rifaqat
Published: November 2021

The theme of this article is to scrutinize the entropy analysis for Darcy‐Forchheimer flow of hybrid nanoliquid towards a stretched curved surface. Manganese and nickel ( and ) zinc ferrites are taken as nanoparticles. Here engine oil () is used as base liquid. Dissipation and radiation effects in energy equation are incorporated. The basic modeling of entropy analysis is developed through second law of thermodynamics. The governing nonlinear partial system (PDEs) of the flow are converted to ordinary one (ODEs) through utilizing suitable variable. The resultant system is consequently solved through one of numerical method (ND‐solve method). Graphical illustrations of velocity field, thermal field and entropy rate versus dimensionless variables for both manganese and nickel zinc ferrites/engine oil nanoparticles are discussed. Computational results of Nusselt number and drag force for both and nanoparticles against flow parameters are studied in tabulated form. A reverse trend holds for velocity through curvature and porosity variables. Higher Forchheimer number diminishes the velocity profile. Larger approximation of radiation has similar effect on thermal field and entropy rate. Higher volume fraction enhances the entropy rate and velocity profile. An intensification in porosity variables rises entropy rate. An increment in drag force is noticed for volume fraction. Higher curvature variable improves the heat transfer rate.
Chaos in CFT dual to rotating BTZ
Authors: Craps Ben , Khetrapal Surbhi , Rabideau Charles
Published: November 2021

Abstract

We compute out-of-time-order correlators (OTOCs) in two-dimensional holographic conformal field theories (CFTs) with different left- and right-moving temperatures. Depending on whether the CFT lives on a spatial line or circle, the dual bulk geometry is a boosted BTZ black brane or a rotating BTZ black hole. In the case when the spatial direction is non-compact, we generalise a computation of Roberts and Stanford and show that to reproduce the correct bulk answer a maximal channel contribution needs to be selected when using the identity block approximation. We use the correspondence between global conformal blocks and geodesic Witten diagrams to extend our results to CFTs on a spatial circle.

In [1] it was shown that the OTOC for a rotating BTZ black hole exhibits a periodic modulation about an average exponential decay with Lyapunov exponent 2π/β. In the extremal limit where the black hole is maximally rotating, it was shown in [2] that the OTOC exhibits an average cubic growth, on which is superposed a sawtooth pattern which has small periods of Lyapunov growth due to the non-zero temperature of left-movers in the dual CFT. Our computations explain these results from a dual CFT perspective.
Computerised tomography features of giant cell tumour of the knee are associated with local recurrence after extended curettage
Authors: Zhou Lenian , Zhu Hongyi , Lin Shanyi , Jin Hanqiang , Zhang Zhaoyuan , Dong Yang , Yang Qingcheng , Zhang Changqing , Yuan Ting
Published: November 2021

Background

Extended curettage has increasingly become the preferred treatment for giant cell tumour of bone (GCTB), but the high recurrence rate after curettage poses a major challenge for orthopaedic surgeons. Computed tomography (CT) is valuable in the evaluation of GCTB. Our aim was to identify specific features of GCTB around the knee in pre-operative CT images that might have prognostic value for local recurrence.

Methods

We retrospectively analyzed data from 124 patients with primary GCTB around the knee who underwent extended curettage from 2010 through 2019. We collected demographic, clinical, and therapeutic data along with several CT-derived tumour characteristics. CT-derived tumor characteristics included tumour size, the distance between the tumour edge and articular surface (DTA), and destruction of posterior cortical bone (DPC). Akaike information criterion (AIC) was used to select which variables to enter into multivariate logistic regression models and to determine significant factors affecting recurrence.

Results

The total recurrence rate was 21.0% (26/124), and the average follow-up time was 69.5 ± 31.2 months (24–127 months). Age, DTA (< 2 mm), and DPC were significantly related to recurrence, as determined by multivariate logistic regression. The C-index of the final model was 0.79 (95% CI: 0.71 to 0.88), representing a good model for predicting recurrence.

Conclusion

Identifying certain features of GCTB around the knee on CT has prognostic value for patients treated with extended curettage. A three-factor model predicts tumour recurrence well after extended curettage.
HLA imputation and its application to genetic and molecular fine-mapping of the MHC region in autoimmune diseases
Authors: Naito Tatsuhiko , Okada Yukinori
Published: November 2021

Variations of human leukocyte antigen (HLA) genes in the major histocompatibility complex region (MHC) significantly affect the risk of various diseases, especially autoimmune diseases. Fine-mapping of causal variants in this region was challenging due to the difficulty in sequencing and its inapplicability to large cohorts. Thus, HLA imputation, a method to infer HLA types from regional single nucleotide polymorphisms, has been developed and has successfully contributed to MHC fine-mapping of various diseases. Different HLA imputation methods have been developed, each with its own advantages, and recent methods have been improved in terms of accuracy and computational performance. Additionally, advances in HLA reference panels by next-generation sequencing technologies have enabled higher resolution and a more reliable imputation, allowing a finer-grained evaluation of the association between sequence variations and disease risk. Risk-associated variants in the MHC region would affect disease susceptibility through complicated mechanisms including alterations in peripheral responses and central thymic selection of T cells. The cooperation of reliable HLA imputation methods, informative fine-mapping, and experimental validation of the functional significance of MHC variations would be essential for further understanding of the role of the MHC in the immunopathology of autoimmune diseases.
The impact of COVID-19 on surgical procedures in Japan: analysis of data from the National Clinical Database
Authors: Ikeda Norihiko , Yamamoto Hiroyuki , Taketomi Akinobu , Hibi Taizo , Ono Minoru , Niikura Naoki , Sugitani Iwao , Isozumi Urara , Miyata Hiroaki , Nagano Hiroaki , Unno Michiaki , Kitagawa Yuko , Mori Masaki
Published: November 2021

Background and purpose

The spread of COVID-19 has restricted the delivery of standard medical care to surgical patients dramatically. Surgical triage is performed by considering the type of disease, its severity, the urgency for surgery, and the condition of the patient, in addition to the scale of infectious outbreaks in the region. The purpose of this study was to evaluate the impact of the COVID-19 pandemic on the number of surgical procedures performed and whether the effects were more prominent during certain periods of widespread infection and in the affected regions.

Methods

We selected 20 of the most common procedures from each surgical field and compared the weekly numbers of each operation performed in 2020 with the respective numbers in 2018 and 2019, as recorded in the National Clinical Database (NCD). The surgical status during the COVID-19 pandemic as well as the relationship between surgical volume and the degree of regional infection were analyzed extensively.

Results

The rate of decline in surgery was at most 10–15%. Although the numbers of most oncological and cardiovascular procedures decreased in 2020, there was no significant change in the numbers of pancreaticoduodenectomy and aortic replacement procedures performed in the same period.

Conclusion

The numbers of most surgical procedures decreased in 2020 as a result of the COVID-19 pandemic; however, the precise impact of surgical triage on decrease in detection of disease warrants further investigation.
Mathematical modeling of planar physically nonlinear inhomogeneous plates with rectangular cuts in the three-dimensional formulation
Authors: Krysko A. V. , Awrejcewicz J. , Bodyagina K. S. , Krysko V. A.
Published: November 2021

Mathematical models of planar physically nonlinear inhomogeneous plates with rectangular cuts are constructed based on the three-dimensional (3D) theory of elasticity, the Mises plasticity criterion, and Birger’s method of variable parameters. The theory is developed for arbitrary deformation diagrams, boundary conditions, transverse loads, and material inhomogeneities. Additionally, inhomogeneities in the form of holes of any size and shape are considered. The finite element method is employed to solve the problem, and the convergence of this method is examined. Finally, based on numerical experiments, the influence of various inhomogeneities in the plates on their stress–strain states under the action of static mechanical loads is presented and discussed. Results show that these imbalances existing with the plate’s structure lead to increased plastic deformation.
Seismic loss assessment of seismically isolated buildings designed by the procedures of ASCE/SEI 7-16
Authors: Kitayama Shoma , Cilsalar Huseyin
Published: November 2021

This paper investigates the seismic loss assessment of seismically isolated and non-isolated buildings with steel moment or braced frames, designed by the seismic design standard of ASCE/SEI 7-16. The seismic loss is calculated from the damage to structural and non-structural components, as well as the demolition and the collapse of buildings. This study demonstrates that the expected annual losses for seismically isolated buildings are half or less than half of those calculated for non-isolated buildings. These losses depend on the types of seismic isolation systems and seismic force resisting systems used. Among the cases of isolated buildings studied in this paper, the most cost-effective systems are found to be the buildings designed by minimum strength requirement in ASCE/SEI 7-16 and with isolators which have displacement capacity 1.5 times larger than the minimum required in ASCE/SEI 7-16, in terms of expected annual losses. This study also compares the results obtained from different approaches of selection and scaling of ground motions. The following research finds that when Incremental Dynamic Analysis approach with far-field ground motion set in FEMA P695 is used, the computed expected total annual losses become doubled from the Conditional Spectra approach.
It is Not (Always) the Mismatch That Beats You—On the Relationship Between Interaction of Early and Recent Life Stress and Emotion Regulation, an fMRI Study
Authors: Sokołowski Andrzej , Folkierska-Żukowska Monika , Jednoróg Katarzyna , Wypych Marek , Dragan Wojciech Ł.
Published: November 2021

Stress may impact the ability to effectively regulate emotions. To study the impact of stressful experiences in early and recent life on emotion regulation, we examined the relationship between early life stress, recent stress, and brain activation during cognitive reappraisal. We investigated two regulation goals: the decrease and increase of emotional response to both negative and positive stimuli. Furthermore, two models of stress consequences were examined: the cumulative and match/mismatch models. A total of 83 participants (Mage = 21.66) took part in the study. There was an interaction between cumulative stress and stimuli valence in the cuneus, superior lateral occipital cortex, superior parietal lobule, supramarginal gyrus extending to superior temporal gyrus, and precentral gyrus extending to supplementary motor area. Interaction between mismatched stress index and stimuli valence was found in the left hippocampus, left insula extending to the orbitofrontal cortex and amygdala, and in a cluster including the anterior cingulate cortex, superior frontal gyrus, and frontal pole. Furthermore, there were differences between the effects of cumulative and mismatched stress indices on brain activation during reappraisal of positive but not negative stimuli. Results indicate that cumulative stress and match/mismatch approaches are both useful for explaining brain activation during reappraisal. This finding is important for our understanding of the multifaceted impact of stress on emotion regulation.
Master equations for Wigner functions with spontaneous collapse and their relation to thermodynamic irreversibility
Authors: te Vrugt Michael , Tóth Gyula I. , Wittkowski Raphael
Published: November 2021

Wigner functions, allowing for a reformulation of quantum mechanics in phase space, are of central importance for the study of the quantum-classical transition. A full understanding of the quantum-classical transition, however, also requires an explanation for the absence of macroscopic superpositions to solve the quantum measurement problem. Stochastic reformulations of quantum mechanics based on spontaneous collapses of the wavefunction are a popular approach to this issue. In this article, we derive the dynamic equations for the four most important spontaneous collapse models—Ghirardi–Rimini–Weber (GRW) theory, continuous spontaneous localization (CSL) model, Diósi-Penrose model, and dissipative GRW model—in the Wigner framework. The resulting master equations are approximated by Fokker–Planck equations. Moreover, we use the phase-space form of GRW theory to test, via molecular dynamics simulations, David Albert’s suggestion that the stochasticity induced by spontaneous collapses is responsible for the emergence of thermodynamic irreversibility. The simulations show that, for initial conditions leading to anti-thermodynamic behavior in the classical case, GRW-type perturbations do not lead to thermodynamic behavior. Consequently, the GRW-based equilibration mechanism proposed by Albert is not observed.
Recessive NLRC4-Autoinflammatory Disease Reveals an Ulcerative Colitis Locus
Authors: Steiner Annemarie , Reygaerts Thomas , Pontillo Alessandra , Ceccherini Isabella , Moecking Jonas , Moghaddas Fiona , Davidson Sophia , Caroli Francesco , Grossi Alice , Castro Fabio Fernandes Morato , Kalil Jorge , Gohr Florian N. , Schmidt Florian I. , Bartok Eva , Zillinger Thomas , Hartmann Gunther , Geyer Matthias , Gattorno Marco , Mendonça Leonardo Oliveira , Masters Seth L.
Published: November 2021

Purpose

NLRC4-associated autoinflammatory disease (NLRC4-AID) is an autosomal dominant condition presenting with a range of clinical manifestations which can include macrophage activation syndrome (MAS) and severe enterocolitis. We now report the first homozygous mutation inNLRC4(c.478G > A, p.A160T) causing autoinflammatory disease with immune dysregulation and find that heterozygous carriers in the general population are at increased risk of developing ulcerative colitis.

Methods

Circulating immune cells and inflammatory markers were profiled and historical clinical data interrogated. DNA was extracted and sequenced using standard procedures. Inflammasome activation assays for ASC speck formation, pyroptosis, and IL-1β/IL-18 secretion confirmed pathogenicity of the mutation in vitro. Genome-wide association of NLRC4 (A160T) with ulcerative colitis was examined using data from the IBD exomes portal.

Results

A 60-year-old Brazilian female patient was evaluated for recurrent episodes of systemic inflammation from six months of age. Episodes were characterized by recurrent low-grade fever, chills, oral ulceration, uveitis, arthralgia, and abdominal pain, followed by diarrhea with mucus and variable skin rash. High doses of corticosteroids were somewhat effective in controlling disease and anti-IL-1β therapy partially controlled symptoms. While on treatment, serum IL-1β and IL-18 levels remained elevated. Genetic investigations identified a homozygous mutation inNLRC4(A160T), inherited in a recessive fashion. Increased ASC speck formation and IL-1β/IL-18 secretion confirmed pathogenicity when NLRC4 (A160T) was analyzed in human cell lines. This allele is significantly enriched in patients with ulcerative colitis: OR 2.546 (95% 1.778–3.644),P = 0.01305.

Conclusion

NLRC4 (A160T) can either cause recessively inherited autoinflammation and immune dysregulation, or function as a heterozygous risk factor for the development of ulcerative colitis.
Statistical Mediation Analysis for Models with a Binary Mediator and a Binary Outcome: the Differences Between Causal and Traditional Mediation Analysis
Authors: Rijnhart Judith J. M. , Valente Matthew J. , Smyth Heather L. , MacKinnon David P.
Published: November 2021

Mediation analysis is an important statistical method in prevention research, as it can be used to determine effective intervention components. Traditional mediation analysis defines direct and indirect effects in terms of linear regression coefficients. It is unclear how these traditional effects are estimated in settings with binary variables. An important recent methodological advancement in the mediation analysis literature is the development of the causal mediation analysis framework. Causal mediation analysis defines causal effects as the difference between two potential outcomes. These definitions can be applied to any mediation model to estimate natural direct and indirect effects, including models with binary variables and an exposure–mediator interaction. This paper aims to clarify the similarities and differences between the causal and traditional effect estimates for mediation models with a binary mediator and a binary outcome. Causal and traditional mediation analyses were applied to an empirical example to demonstrate these similarities and differences. Causal and traditional mediation analysis provided similar controlled direct effect estimates, but different estimates of the natural direct effects, natural indirect effects, and total effect. Traditional mediation analysis methods do not generalize well to mediation models with binary variables, while the natural effect definitions can be applied to any mediation model. Causal mediation analysis is therefore the preferred method for the analysis of mediation models with binary variables.
Cancer-specific mortality after radical prostatectomy vs external beam radiotherapy in high-risk Hispanic/Latino prostate cancer patients
Authors: Hoeh Benedikt , Hohenhorst Jan L. , Flammia Rocco , Horlemann Benedikt , Sorce Gabriele , Chierigo Francesco , Tian Zhe , Saad Fred , Graefen Markus , Gallucci Michele , Briganti Alberto , Terrone Carlo , Shariat Shahrokh F. , Kluth Luis A. , Becker Andreas , Chun Felix K. H. , Karakiewicz Pierre I.
Published: November 2021

Purpose

To test for differences in cancer-specific mortality (CSM) rates in Hispanic/Latino prostate cancer patients according to treatment type, radical prostatectomy (RP) vs external beam radiotherapy (EBRT).

Methods

Within the Surveillance, Epidemiology, and End Results database (2010–2016), we identified 2290 NCCN (National Comprehensive Cancer Network) high-risk (HR) Hispanic/Latino prostate cancer patients. Of those, 893 (39.0%) were treated with RP vs 1397 (61.0%) with EBRT. First, cumulative incidence plots and competing risks regression models tested for CSM differences after adjustment for other cause mortality (OCM). Second, cumulative incidence plots and competing risks regression models were refitted after 1:1 propensity score matching (according to age, PSA, biopsy Gleason score, cT-stage, cN-stage).

Results

In NCCN HR patients, 5-year CSM rates for RP vs EBRT were 2.4 vs 4.7%, yielding a multivariable hazard ratio of 0.37 (95% CI 0.19–0.73, p = 0.004) favoring RP. However, after propensity score matching, the hazard ratio of 0.54 was no longer statistically significant (95% CI 0.21–1.39, p = 0.2).

Conclusion

Without the use of strictest adjustment for population differences, NCCN high-risk Hispanic/Latino prostate cancer patients appear to benefit more of RP than EBRT. However, after strictest adjustment for baseline patient and tumor characteristics between RP and EBRT cohorts, the apparent CSM benefit of RP is no longer statistically significant. In consequence, in Hispanic/Latino NCCN high-risk patients, either treatment modality results in similar CSM outcome.
Distribution and diel vertical migration of mesopelagic fishes in the Southern Sargasso Sea — observations through hydroacoustics and stratified catches
Authors: Marohn L. , Schaber M. , Freese M. , Pohlmann J. D. , Wysujack K. , Czudaj S. , Blancke T. , Hanel R.
Published: November 2021

Vertical distribution patterns and relative abundance of mesopelagic fish species and other major taxonomic groups were investigated through vertically stratified trawl sampling and hydroacoustic analyses along the subtropical convergence zone from 52° W to 70° W in the oligotrophic Sargasso Sea. Persistent stationary layers and several migrating components of different scattering characteristics were detected. The results reveal varying vertical migration patterns, including different times of onset of diel vertical migration in different depths and a migrant pathway emerging daily from the lower deep scattering layer (DSL) at dusk and migrating through the upper DSL without affecting its composition. Fish species identification was made based on morphological characteristics and confirmed by genetic barcoding analyses of subsamples. In total, 5022 fish specimens from 27 families, 62 genera and 70 species were caught. In terms of relative abundance (A) and biomass (M), catches were dominated by species of the families Myctophidae (A=59.1%, M=47.4% of total fish catch) and Melamphaidae (A=22.5%, M=17.1%). Myctophidae and Stomiidae were the most species-rich families with 31 and 12 species, respectively. Catches at the two easternmost stations were dominated byScopelogadus mizolepisandNannobrachium cuprarium,whileBolinichthys photothoraxandCeratoscopelus warmingiiwere the most abundant species in catches from the two westernmost stations. This study provides insights into distribution and vertical migration behaviour of mesopelagic fish in the Sargasso Sea and adds to our understanding of the mesopelagic community in this large oceanic area.
pyMPEALab Toolkit for Accelerating Phase Design in Multi-principal Element Alloys
Authors: Subedi Upadesh , Kunwar Anil , Coutinho Yuri Amorim , Gyanwali Khem
Published: November 2021

Multi-principal element alloys (MPEAs) occur at or nearby the centre of the multicomponent phase space, and they have the unique potential to be tailored with a blend of several desirable properties for the development of materials of future. The lack of universal phase diagrams for MPEAs has been a major challenge in the accelerated design of products with these materials. This study aims to solve this issue by employing data-driven approaches in phase prediction. A MPEA is first represented by numerical fingerprints (composition, atomic size difference , electronegativity , enthalpy of mixing , entropy of mixing , dimensionless $$\Omega$$
Ω
parameter, valence electron concentration and phase types ), and an artificial neural network (ANN) is developed upon the datasets of these numerical descriptors. A pyMPEALab GUI interface is developed on the top of this ANN model with a computational capability to associate composition features with remaining other input features. With the GUI interface, an user can predict the phase(s) of a MPEA by entering solely the information of composition. It is further explored on how the knowledge of phase(s) prediction in composition-varied $$\hbox {Al}_x$$

Al
x

CrCoFeMnNi and $$\hbox {CoCrNiNb}_x$$

CoCrNiNb
x

can help in understanding the mechanical behavior of these MPEAs.

Graphic Abstract
Announcing changes to the publishing procedures of “Biophysics and Physicobiology” (BPPB)—the Biophysical Society of Japan’s English language biophysics journal
Authors: Nakamura Haruki
Published: November 2021

This Commentary describes some upcoming changes to the submission and payment procedures to the Biophysical Society of Japan’s English language journal “Biophysics and Physicobiology” (BPPB) that will facilitate a much easier and cheaper publishing experience for all scientists—whether they be Japan-based or located internationally.
Understanding the Pathway of Cancer Information Seeking: Cancer Information Services as a Supplement to Information from Other Sources
Authors: Reifegerste Doreen , Rosset Magdalena , Czerwinski Fabian , Baumann Eva , Gaisser Andrea , Kludt Evelyn , Weg-Remers Susanne
Published: November 2021

Cancer information services (CISs) can play an important role within the pathway of cancer information seeking, but so far, this role is not well understood. Callers (n = 6,255) who contacted the largest provider of cancer information in Germany participated in a survey in which they reported their information sources, information level, and needs leading to the call. Persons with prior information from a physician (n = 1,507) were compared to people with prior online information (n = 901) and people with prior information from both sources (n = 2,776). Nearly all callers (96.7%) stated prior sources, while physicians and the Internet were the most frequently reported sources. People, who only talked to a doctor before, are more likely to be a patient and in the disease stages during/after the first treatment or with recurrence than prior Internet users. The two groups do not differ in their prior information level but did differ in their information needs. CISs are an important supplement to other sources, while the information repertoire depends on patients’ stages during the cancer journey. Specific characteristics and needs of callers with different prior information sources help to individualize the service of CISs and similar providers.
Mannich Base as an Efficient Corrosion Inhibitor of AA6061 in 0.5 M HCl: Electrochemical, Surface Morphological and Theoretical Investigations
Authors: Maithili K. , Shetty Prakasha , Kumari P. Preethi , Kagatikar Sneha
Published: November 2021

The inhibition action of a Mannich base, N-(1- morpholinobenzyl) semicarbazide (MBS), was examined on AA6061 corrosion in 0.5 M HCl solution at varied temperatures (303 to 323 K). The testing was performed by potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) techniques. The inhibition performance of MBS was improved with an increment in its concentration (0.01–2.56 mM) and temperature rise (303 to 323 K). MBS showed a mixed inhibitor behavior at all concentrations and temperatures range studied. MBS displayed the highest inhibition efficiency of 98% at 2.56 mM and 323 K. Inhibitor followed mixed adsorption on the alloy surface and obeyed the Langmuir isotherm model. The results obtained from the EIS were in good agreement with that of the PDP results. An appropriate mechanism was proposed for the corrosion inhibition of AA6061. Inhibitor molecules adsorption on alloy surface was confirmed by surface morphology testing by a scanning electron microscope (SEM) and atomic force microscope (AFM). Theoretical studies using density-functional theory (DFT) confirmed the experimental results.
Understanding intergenerational fitness tracking practices: 12 suggestions for design
Authors: Salehzadeh Niksirat Kavous , Rahmamuliani Fitra , Ren Xiangshi , Pu Pearl
Published: November 2021

The paper presents a qualitative study to explore the use of fitness trackers and their social functions in intergenerational settings. The study covered three phases of semi-structured interviews with older and younger adults during individual and intergenerational use of the fitness trackers. The study revealed comparability as common fitness practice for older adults. The findings show that intergenerational fitness tracking practices can increase in-person meetings and daily discourses and thus enhance family social bonds. An unexpected benefit of this practice is its ability to help older adults overcome technology barriers related to the use of fitness trackers. Overall speaking, families whose intergenerational members already enjoy a strong relationship are likely to gain the most from such practices. Many challenges remain especially concerning the motivation and involvement of younger partners and the user experience design aspect of such digital programs. For this purpose, we have developed some recommendations for the future development and deployment of intergenerational fitness tracking systems to stimulate interactions between younger and older family members and thus to promote their physical and emotional well-being.
Composite Biodegradable Polymeric Matrix Doped With Halloysite Nanotubes for the Repair of Bone Defects in Dogs
Authors: Naumenko Ekaterina , Zakirova Elena , Guryanov Ivan , Akhatova Farida , Sergeev Mikhail , Valeeva Anastasia , Fakhrullin Rawil
Published: November 2021

The use, in veterinary practice, of a three-dimensional biopolymer matrix (based on chitosan, agarose, and gelatin and doped with halloysite nanotubes) as a vehicle for mesenchymal stem cells (MSCs) to repair bone defects is reported here. The nanocomposite, combined with allogenic adipose-derived stem cells, was suitable for the repair of bone defects in dogs when paired with standard surgery involving metal Kirshner wires. The absence of inflammatory reactions to biopolymer matrices with allogenic stem cells was revealed in the case of an animal prone to inflammatory and allergic reactions. In addition, positive dynamics in the fusion of chronic bone defects without rejection reactions was observed after using a biopolymer matrix with MSCs.
The Cambridge Introduction to Sanskrit
Authors: Ruppel A. M.
Published: November 2021

Ideal for courses in beginning Sanskrit or self-study, this textbook employs modern, tried-and-tested pedagogical methods and tools, but requires no prior knowledge of ancient languages or linguistics. Devanāgarī script is introduced over several chapters and used in parallel with transliteration for several chapters more, allowing students to progress in learning Sanskrit itself while still mastering the script. Students are exposed to annotated original texts in addition to practise sentences very early on, and structures and systems underlying the wealth of forms are clearly explained to facilitate memorisation. All grammar is covered in detail, with chapters dedicated to compounding and nominal derivation, and sections explaining relevant historical phenomena. The introduction also includes a variety of online resources that students may use to reinforce and expand their knowledge: flash cards; video tutorials for all chapters; and up-to-date links to writing, declension and conjugation exercises and online dictionaries, grammars, and textual databases.