bluuebunny/crossref_metadata_2025 huggingface dataset:
Density functional theory calculations of copper‐doped rutile crystals: Local structural, electronic, optical, and electron paramagnetic resonance properties
Authors: Yu Xing‐Yuan , Wu Shao‐Yi , Shen Gao‐Qiang , Yan Li , Wei Zhang‐Ting , Li Xiao‐Yu
Published: July 2021

The local structural, electronic, optical, and electron paramagnetic resonance (EPR) properties are uniformly studied for Cu2+‐doped rutile (TiO2) crystals by using the density functional theory (DFT) calculations. The local cation–oxygen bond lengths and planar bond angle, band gap, Mulliken charge and overlapping population, density of state (DOS), and UV–Vis absorption spectra are calculated for pure and copper‐doped rutile. The smaller overlapping population of Cu–O bonds in the doped system than Ti–O bonds in pure rutile reflects weaker orbital admixtures or covalency of the former. Compared with pure rutile, Cu2+ doping leads to significant redshift of the UV–Vis absorption band and the narrow impurity band in visible and near‐infrared regions arising from the Cu2+ d–d transitions and narrowing of the band gap by about 0.636 eV, possibly suggesting enhancement of visible light activity. The Cu dopant induces a spin magnetic moment of 0.74 μB for the doped rutile. The calculated UV–Vis absorption spectra and spin Hamiltonian parameters for copper‐doped rutile show reasonable agreement with the experimental data and some improvement related to the previous perturbation formula calculations. Present systematic studies would be helpful to understand the mechanisms of the enhancement in the optical and magnetic properties of this material with transition‐metal (especially Cu2+) dopants.
Outcomes of patients with schizophrenia who discontinued long‐acting injectable antipsychotic therapy due to adverse events: A chart review
Authors: Kishi Taro , Sakuma Kenji , Okuya Makoto , Hatano Masakazu , Iwata Nakao
Published: July 2021

Aim

We conducted a chart review to investigate the detailed outcomes of patients with schizophrenia who discontinued long‐acting injectable second‐generation antipsychotic (LAI‐SGA) therapy due to adverse events (AEs).

Methods

The study included patients with schizophrenia and related psychotic disorders who commenced LAI‐SGA therapy between January/1//2009 and March/31/2020 at Fujita Health University Hospital in Toyoake, Japan.

Results

We conducted a chart review of 157 patients with schizophrenia. At the time of this survey, 4 (6.9%), 5 (12.2%), and 10 (17.2%) of the patients in the aripiprazole once monthly, paliperidone palmitate, and risperidone‐LAI groups, respectively, discontinued due to AEs since the start of LAI‐SGA therapy. Three patients required hospitalization for AE treatment.

Conclusion

The severity of these AEs in most patients is moderate (ie, no hospital treatment required). Due to the small sample size, a larger study is needed to confirm/replicate our study results.
Analysis of the parareal approach based on discontinuous Galerkin method for time‐dependent Stokes equations
Authors: Li Jun , Jiang Yao‐Lin , Miao Zhen
Published: July 2021

This paper analyzes a parareal approach based on discontinuous Galerkin (DG) method for the time‐dependent Stokes equations. A class of primal discontinuous Galerkin methods, namely variations of interior penalty methods, are adopted for the spatial discretization in the parareal algorithm (we call it parareal DG algorithm). We study three discontinuous Galerkin methods for the time‐dependent Stokes equations, and the optimal continuous in time error estimates for the velocities and pressure are derived. Based on these error estimates, the proposed parareal DG algorithm is proved to be unconditionally stable and bounded by the error of discontinuous Galerkin discretization after a finite number of iterations. Finally, some numerical experiments are conducted which confirm our theoretical results, meanwhile, the efficiency of the parareal DG algorithm can be seen through a parallel experiment.
Thermodynamic and shear effects of ultrasonic vibration on the flow‐induced crystallization of polypropylene
Authors: Zou Dejian , Yu Tongmin , Duan Chunzheng
Published: July 2021

In order to achieve optimal mechanical properties in injection‐molded parts, continuous ultrasonic vibration is applied to a mold cavity during the filling and solidification stages of injection molding. In this work, the effect of ultrasonic thermodynamics and ultrasonic shear on the condensed structure of the parts are studied. Thermocouple measurement results show that the increase in the temperature of the mold cavity surface caused by ultrasonic thermodynamics can reach up to 15°C; Molecular dynamics simulation results show that the molecular chain morphology under ultrasonic shear is more stretched during the melt flow process. Microscopic results show that with increasing ultrasonic power and ultrasonic time, the ultrasonic thermodynamic effect causes the thickness of the shear layer to increase. With increaseing ultrasonic power, the lamella thickness of the core layer increases, while the crystal size in the transition layer shows a trend of first decreasing and then increasing. The ultrasonic shear causes the overall crystallinity and β crystal content of the parts to increase with increaseing the ultrasonic power. The crystallinity starts to decrease when the ultrasonic vibration is still applied at a melt temperature below 67°C during cooling. When the ultrasonic power is increased to 1000 W and the ultrasonic vibration time is applied for 30 s, β spherulites transform to β‐transcrystalline. The yield stress results show that when the ultrasonic vibration time is 0–20 s, the yield stress of the parts increases with the ultrasonic power; while when the ultrasonic time is increased to 30 s, the yield stress decreases.
Pediatric oncology infrastructure and workforce training needs: A report from the Pediatric Oncology East and Mediterranean (POEM) Group
Authors: Khan Muhammad Saghir , Al‐Jadiry Mazin Faisal , Tarek Nidale , Zamzam Manal , Saab Raya , Trehan Amita , Rihani Rawad , AlRawas Abduhakim , Jeha Sima , Belgaumi Asim F.
Published: July 2021

Background

Inadequate numbers of trained health care providers (HCPs) contribute to poor pediatric oncology (PO) outcomes, particularly in low‐ and lower middle–income countries (L/LMICs). An understanding of the characteristics of the workforce challenges is vital for addressing these problems.

Methods

The Pediatric Oncology East and Mediterranean (POEM) Group surveyed PO centers in countries of North Africa, Middle East, Central Asia, and Indian subcontinent on infrastructure and workforce capacity, service availability, and training opportunities for HCPs. Participating centers were categorized by the World Bank income levels for their countries and correlated with services, workload and staffing characteristics, and training needs.

Results

Fifty of 82 member centers (61%) from 21 countries responded to the survey. Two hundred ninety‐nine pediatric oncologists and 1176 nurses treated 12 496 new PO patients/year, with a 1451‐bed utilization. The majority (71%) of new cases occurred in L/LMICs. The availability of HCPs correlated with country income level, as did pediatric subspecialty access, while availability of support services was unrelated. Twenty‐five centers in 11 countries offered PO fellowship training for physicians, whereas 13 PO nurse training centers in nine countries had the capacity to train 273 nurses annually. The survey respondents indicated that, among their existing workforce, an average of 3.5 physicians and 14 nurses per institution would benefit from additional PO training opportunities.

Conclusions

The participating centers exhibited intraregional heterogeneity in financial resources, infrastructure, workload, workforce, and medical services. Our findings provide insight into the disparities and regional resources available to POEM, which can be mobilized to rectify specific deficiencies.
Viktorianische Physik zwischen Gletschereis und Sonnenlicht
Authors: Loos Andreas
Published: July 2021

Dem Sohn eines Polizisten gelang eine steile wissenschaftliche Karriere. Er heiratete spät und gewann mit seiner Frau eine fähige Wissenschaftlerin als Partnerin.
Effects of C3‐aromatic heterocycles on 1,3,5‐triaryl‐2‐pyrazoline sulfonium salt photoacid generators as light‐emitting diode‐sensitive cationic photoinitiators
Authors: Chen Shixiong , Zhao Xiaotian , Jin Ming , Huang Wanqiu , Ye Guodong , Pan Haiyan , Wan Decheng
Published: July 2021

Four 1,5‐diphenyl‐3‐aromatic heterocyclyl‐2‐pyrazoline‐based sulfonium salt photoacid generators (PAGs) with different aromatic heterocycles substituted on C3 atom and dimethyl sulfonium group on C5 atom were synthesized. These PAGs were highly photosensitive in the 365–425 nm light‐emitting diode region, and the intramolecular charge transfer from the pyrazoline ring to sulfonium salts induced efficient photolysis and high ΦH+. The heterocycles as well as their substituted positions significantly influenced the energy of the S2 orbital, which was determined by the electrochemical and absorption properties of the PAGs. The raising of the S2 orbital energy enlarged the energy gap of S0–S2 and S1–S2, resulting in blue shift of the absorption spectra and increase in the quantum yield of photoacid generation (ΦH+), respectively. When the energy of excited electrons was higher than that of the S2 orbital, the transition from S0 to S2 (π–π*) occurred before the C‐S cleavage on S1 and the PAGs showed high ΦH+ values (0.52–0.72). The transition from S0 to S1 (π–σ*) occurred when the energy of electrons is lower than that of the S2 orbital, and the PAGs showed low ΦH+ value. The photopolymerization kinetics demonstrated that these PAGs were highly efficient cationic photoinitiators.
SRSF‐1 and microvessel density immunohistochemical analysis by semi‐automated tissue microarray in prostate cancer patients with diabetes (DIAMOND study)
Authors: Broggi Giuseppe , Lo Giudice Arturo , Di Mauro Marina , Asmundo Maria Giovanna , Pricoco Elisabetta , Piombino Eliana , Caltabiano Rosario , Morgia Giuseppe , Russo Giorgio Ivan
Published: July 2021

Objective

To study the association between insulin receptors (isoforms α and β), insulin growth factor‐1 (IGF1) and serine/arginine splicing factor 1 (SRSF‐1) in patients with prostate cancer (PC) and diabetes.

Materials and Methods

We retrospectively analyzed data from 368 patients who underwent surgery for PC or benign prostatic hyperplasia (BPH) between 2010 and 2020 at the Department of Urology, University of Catania. Tissue microarray slides were constructed and they were stained for androgen receptor (AR), insulin receptor‐α and ‐β, IGF1 (IGF1‐R), Ki‐67, and prostate specific membrane antigen (PSMA) expression using validated score.

Results

The final cohort was represented by 100 patients with BPH and 268 with PC, with a median age of 68 years. We found that SRSF‐1 expression was associated with AR (odds ratio [OR]: 1.66), PSMA (OR: 2.13), Ki‐67 (OR: 5.99), insulin receptor (IR)‐α (OR: 2.38), IR‐β (OR: 3.48), IGF1‐R (OR: 1.53), and microvascular density (MVD) was associated with PSMA (OR: 3.44), Ki‐67 (OR: 2.23), IR‐α (OR: 2.91), IR‐β (OR: 3.02), IGF1‐R (OR: 2.95), and SRSF‐1 (OR: 2.21). In the sub cohort of PC patients, we found that SRSF‐1 expression was associated with AR (OR: 2.34), Ki‐67 (OR: 6.77), IR‐α (OR: 2.7), and MVD (OR: 1.98). At the Kaplan–Meier analysis, SRSF‐1+ patients had worse 5‐ and 9‐year biochemical recurrence (36% and 6%) respect to SRSF‐1− (67% and 7%; p < .01) and similarly MVD+ patients (44% and 7%) respect to MVD− (64% and 8%; p < .01). Restricting the analysis only in patients with PC and diabetes, we found that SRSF‐1+ was associated with Ki‐67+ (OR: 8.75; p < .05) and MVD+ (OR: 7.5; p < .05).

Conclusions

PC exhibits widespread heterogeneity in protein expression. In particular, the expressions of the SRSF‐1 protein and of the MVD are associated with a worse prognosis and in particular with a greater cell proliferation. These results, although preliminary, may offer new future scientific insights with the aim of highlighting possible genetic alterations linked to a greater expression of SRSF‐1 and associated with a worse prognosis.
Defect Characterization in High‐Electron‐Mobility Transistors with Regrown p‐GaN Gate by Low‐Frequency Noise and Deep‐Level Transient Spectroscopy
Authors: Hsu Po-Chun , Simoen Eddy , Liang Hu , De Jaeger Brice , Bakeroot Benoit , Wellekens Dirk , Decoutere Stefaan
Published: July 2021

To investigate the defects from the gate regrowth process, samples with and without regrowth p‐GaN process are fabricated by metalorganic chemical vapor deposition (MOCVD). The DC characteristics indicate larger gate leakage (Igs) between the GaN channel and the p‐GaN gate in the regrowth sample than in the nonregrowth counterpart. In addition, significant Si/O impurities are introduced by the regrowth process at the interface between channel and regrown AlGaN barrier. The low‐frequency noise (LFN) measurement and deep‐level transient spectroscopy (DLTS) are further carried out to investigate the defectivity at the AlGaN barrier and channel interface, giving a 2–3 times higher border trap density in the AlGaN barrier (depth ≈5 nm from the channel interface) and a 10 times increase in interface trap density at the channel interface, corresponding with a band of shallow levels E3 = Ec–0.02–0.15 eV. Three additional bulk traps E2/E5 (Ec–0.8 eV, / Ec–0.17 eV, ) and E4 (Ec–0.23 eV, ) are also found in the regrowth and nonregrowth samples, respectively. Their possible spatial locations and origins are discussed.
Modulation of Oxygen Vacancy on Midinfrared Light‐Induced Ferroelectricity of KTaO3
Authors: Kong Yueyue , Zhang Hong , Cheng Xinlu
Published: July 2021

Nonlinear phononics plays an important role in intense laser–solid interactions, especially in light‐induced superconductivity, polarized and ferroelectric phases. Herein, by nonlinear coupling of phonon modes, the modulation of oxygen vacancy defects on the dynamic properties of midinfrared light‐induced ferroelectricity of cubic KTaO3 is studied. It is found that oxygen vacancy causes the coupling constant l between the high‐frequency phonon mode and the low‐frequency phonon mode to be negative, which means that the lowest frequency infrared‐active phonon mode (Qlz) is softened when highest‐frequency infrared‐active phonon mode (Qhx) is exteriorly pumped; it is proved that the Qlz mode can be softened when the KTaO3 contains 1/8, 1/4, and 2/3 of oxygen vacancies. When the KTaO3 contains a quarter of oxygen vacancies, it can effectively enhance the coupling constant, reduce the damping effect, and induce the ferroelectricity of KTaO3. But the Qlz mode cannot be softened when there are 3/8 of oxygen vacancies in KTaO3. Overall, the findings strongly support that turning the photoinduced ferroelectricity of KTaO3 by oxygen vacancy defects is desirable, which provides an effective strategy for controlling the light‐induced ferroelectricity in the all‐optical devices.
Proton Energy Loss in GaN
Authors: Duboz Jean-Yves , Zucchi Julie , Frayssinet Eric , Chenot Sébastien , Hugues Maxime , Grini Jean-Claude , Hérault Joël
Published: July 2021

The proton energy loss in GaN in an energy range between 0 and 65 MeV is investigated. The energy of protons generated by a cyclotron at about 65 MeV is varied by inserting an energy‐absorbing medium of varying thickness. The precise modeling of the GaN Schottky diode response as a function of the absorbing medium thickness allows us to demonstrate that the energy absorption loss in GaN precisely follows the Bethe theory. In addition, the region of the detector contributing to its response to a proton beam, which is of prime importance for proton detector optimization, can be identified.
Green Synthesis and Optimization of 3D Nitrogen‐Doped Carbon Network via Biomass Waste for Highly Efficient Bisphenol S Adsorption
Authors: Li Zelun , Zhao Xiaotong , Hong Xuekun , Yang Hujiang , Fang Dongyu , Wang Yonggang , Lei Ming
Published: July 2021

In this paper, a 3D nitrogen‐doped carbon network with excellent adsorption properties was prepared for bisphenol S (BPS) removal from water. An optimized sample B‐T700‐N3 with high Langmuir specific surface area as well as plentiful heteroatoms was screened out. Benefiting from the synergistic effect of conjugation and hydrogen bonding between the adsorbent and bisphenol S, B‐T700‐N3 demonstrated superior adsorption performance. The maximum adsorption amount (qmax,e) of the B‐T700‐N3 at equilibrium was determined to be up to 91 mg/g, which was comparable or even higher than that of the state‐of‐the‐art reported adsorbents. Experimental results illustrated that this adsorbent could also effectively remove other bisphenols (BPA, BPAF) from water. Overall, this novel adsorbent demonstrated a competitive performance for bisphenols removal in aqueous solution and can be a highly interesting candidate for industrial applications.
Electrochemical Oxidation Cross Dehydrogenative Coupling of Enamines and Thiophenols for the Synthesis of Vinyl Sulfides
Authors: Li Dandan , Jia Jingpeng , Zhao Xiaowei , Zhang Zixuan , Wang Huimin , Li Shuaibing , Xu Zhihong , Xie Zhiyu
Published: July 2021

A direct electrochemical oxidative cross dehydrogenative coupling reaction between enamines and thiophenols has been demonstrated. This strategy provides an effective, more economical, and environmentally friendly method to construct the C(sp2)‐S bond in the absence of chemical oxidants and transition metal catalysts. A variety of enamines and (hetero)aryl thiols are compatible with this transformation to afford the corresponding vinyl sulfides in moderate to excellent yields under undivided electrolytic cell conditions.
Defect Etching of Phase‐Transition‐Assisted CVD‐Grown 2H‐MoTe2
Authors: Zhou Yaoqiang , Tao Li , Chen Zefeng , Lai Haojie , Xie Weiguang , Xu Jian‐Bin
Published: July 2021

2D molybdenum ditelluride (MoTe2) with polymorphism is a promising candidate to developing phase‐change memory, high‐performance transistors and spintronic devices. The phase‐transition‐assisted chemical vapor deposition (CVD) process has been used to prepare large‐scale 2H‐MoTe2 with large grain size and low density of grain boundary. However, because of the lack of precise control of the growth condition, some defects including the amorphous regions and grain boundaries in 2H‐MoTe2 are hardly avoidable. Here, a facile method of selectively etching defects in large‐scale CVD‐grown 2H‐MoTe2 by triiodide ion (I3−) solution is reported. The defect etching is attributed to the reduced lattice symmetry, high chemisorption activity and high conductivity of the defects due to the high density of Te vacancies. The treated 2H‐MoTe2 shows the suppressed hysteresis in the electrical transfer curve, enhances hole mobility and the higher effective barrier height on the metal contact, suggesting the decreased density of defects. Further chemical analysis indicates that the 2H‐MoTe2 is not damaged or doped by I3− solution during the etching process. This simple and low‐cost post‐processing method is effective for etching the defects in large‐area 2H‐MoTe2 for high‐performance device applications.
Synergistic Effect of K and I Codoped Porous Graphitic Carbon Nitride Sphere for Photocatalytic Hydrogen Evolution: Experimental and Theoretical Study
Authors: Li Junzhuo , Ruan Zhaohui , Zhu Lei , Li Yudong , Xu Xianzhu , Yang Yulin , Yuan Yuan , Lin Kaifeng
Published: July 2021

Heteroatoms doping and morphology design have been considered as effective approaches to enhancing the photocatalytic activity of graphitic carbon nitride (g‐C3N4), whereas few of them have focused on the synergistic effect of codoping and the optical property of the porous structure during the catalytic process. Herein, a porous g‐C3N4 sphere codoped with K and I is designed and prepared to investigate the different roles played during the reaction. Compared with the pristine carbon nitride, the activity of the prepared catalyst increased by 7.9 times to 75.2 μmol h−1. Experimental results with density function theory calculations indicate the different roles of two elements played during the photocatalysis process and optical simulations are given to prove the enhancement of the porous structure in light absorption ability. The pore structure improves the light absorption and mass transfer capabilities of the catalyst, while the codoping of metal and nonmetal develop the separation capabilities of the carriers and optimize the energy band structure respectively, which synthetically lead to an enhanced performance of the photocatalysis.
Using 4‐Chlorobenzoic Acid Layer Toward Stable and Low‐Cost CsPbI2Br Perovskite Solar Cells
Authors: Li Zhuowei , Wu Wei , Ren Guanhua , Han Wenbin , Li Na , Liu Chunyu , Guo Wenbin
Published: July 2021

Inorganic perovskite solar cells (PSCs) have attracted a lot of attention due to their thermal stability. Among them, CsPbI2Br are more widely studied due to their reasonable bandgap and phase stability at room temperature. However, poor moisture resistance is an urgent issue to conquer. Herein, solution‐processed 4‐chlorobenzoic acid (CBA) is used to increase the work function of a Ag electrode, enabling effective hole extraction. More importantly, CBA can effectively avoid the phase conversion of the CsPbI2Br perovskite from the cubic phase to the undesired nonperovskite δ‐phase due to the hygroscopicity of lithium bis (triﬂuoromethanesulphony)imide (Li‐TFSI) in 2,2,7,7‐tetrakis(N,N‐di‐pmethoxyphenylamine)‐9,9‐spirobifluorene (Spiro‐OMeTAD), enhancing the water stability of PSCs. It can also reduce the fabrication cost by replacing the expensive Au electrode and saving the evaporation energy consumption of the commonly used MoO3 anode buffer layer. Consequently, the champion device achieves a power conversion efficiency (PCE) of 14.3%, with a high open‐circuit voltage of 1.21 V. After storing in air at 20% relative humidity (RH) for 500 h, the unencapsulated device maintains more than 95% of the initial PCE.
Recent Advances on Heteroatom‐Doped Porous Carbon/Metal Materials: Fascinating Heterogeneous Catalysts for Organic Transformations
Authors: Rangraz Yalda , Heravi Majid M. , Elhampour Ali
Published: July 2021

Design and preparation of low‐cost, effective, and novel catalysts are important topics in the field of heterogeneous catalysis from academic and industrial perspectives. Recently, heteroatom‐doped porous carbon/metal materials have received significant attention as promising catalysts in divergent organic reactions. Incorporation of heteroatom into the carbon framework can tailor the properties of carbon, providing suitable interaction between support and metal, resulting in superior catalytic performance compared with those of traditional pure carbon/metal catalytic systems. In this review, we try to underscore the recent advances in the design, preparation, and application of heteroatom‐doped porous carbon/metal catalysts towards various organic transformations.
Alkali and Alkaline Earth Metal Complexes as Versatile Catalysts for Ring‐Opening Polymerization of Cyclic Esters
Authors: Bhattacharjee Jayeeta , Sarkar Alok , Panda Tarun K.
Published: July 2021

Biodegradable polyesters such as poly(ϵ‐caprolactone) (PCL) and poly(lactic acid) (PLA) have been considered for use in several areas, such as drug delivery devices, sutures, tissue engineering, and GBR membranes, due to its bio‐renewability, biodegradability, and biocompatibility. Several synthetic techniques for the preparation of polyesters have been reported in the literature, amongst which the ring‐opening polymerization (ROP) of cyclic esters is the most efficient. A convenient approach to access iso‐selective PLAs is polymerization of racemic lactide (rac‐LA), which shows excellent stereoregularity without the need for costly chiral auxiliaries or ligands. In this personal account, we review a series of methods that have been practiced to the synthesis of biodegradable polyesters from various cyclic monomers using alkali and alkaline earth metal complexes as efficient catalysts.
Positional‐based cloning ‘fail‐safe’ approach is overpowered by wheat chromosome structural variation
Authors: Taagen Ella , Tanaka James , Gul Alvina , Sorrells Mark E.
Published: July 2021

Positional‐based cloning is a foundational method for understanding the genes and gene networks that control valuable agronomic traits such as grain yield components. In this study, we sought to positionally clone the causal genetic variant of a 1000‐grain weight (TGW) quantitative trait loci (QTL) on wheat (Triticum aestivumL.) chromosome arm 5AL. We developed heterogenous inbred families (HIFs) (>5,000 plants) for enhanced genotypic resolution and fine‐mapped the QTL to a 10‐Mbp region. The transcriptome of developing grains from positive and negative control HIF haplotypes revealed presence–absence chromosome arm 5AS structural variation and unexpectedly no differential expression of genes within the chromosome arm 5AL candidate region. Evaluation of genomic, transcriptomic, and phenotypic data, and predicted function of genes, identified that the 5AL QTL was the result of strong linkage disequilibrium (LD) with chromosome arm 5AS presence or absence (HIFr2= 0.91). Structural variation is common in wheat, and our results highlight that the redundant polyploid genome's masking of such variation is a significant barrier to positional cloning. We propose recommendations for more efficient and robust detection of structural variation, including transitioning from a single nucleotide polymorphism (SNP) to a haplotype‐based approach to identify positional cloning targets. We also present nine candidate genes for grain yield components based on chromosome arm 5AS presence or absence, which may unveil hidden variation of homoeolog dosage‐dependent genes across the group five chromosome short arms. Taken together, our discovery demonstrates the phenotypic resiliency of polyploid genomic structural variation and highlights a considerable challenge to routine positional cloning in wheat.
Introduction
Authors: Moebius Stephan
Published: July 2021

The sociological analysis of the history of sociology uncovers the dynamics of the social within the science of the social and thus contributes to an increased orientation, self-reflection, and enlightening of the discipline. This chapter gives a brief overview of the book and explains the methodology underlying this historiography of sociology.
Sociology in Germany: From the Beginnings to 1945
Authors: Moebius Stephan
Published: July 2021

In this chapter, the beginnings of sociology in Germany up until 1945 are presented. Similar to France, in Germany the genesis of sociology is closely linked to the emergence of bourgeois society, industrialization, and the perception of a social and cultural crisis. At the turn of the century, the now well-known “founding fathers,” such as Ferdinand Tönnies, Georg Simmel, and Max Weber, published their classical works. Journals and professional organizations were founded. In the interwar period, sociology became established as an academic discipline at universities. National Socialism brought sociology as an institutionalized and well-established discipline to an end. The Nazis had no interest in sociology as an independent science. But even though sociology cannot be identified as a discipline in the years 1933 to 1945, there were people who worked sociologically. It was in particular their empirical and methodological knowledge that was useful for the Nazis.
Ups and Downs of Sociology in Germany: 1968–1990
Authors: Moebius Stephan
Published: July 2021

In the 1960s, Germany was strongly marked by changes in cultural values and social concepts of order, by new developments in art, music, and film, as well as suburbanization; also, as in many other countries, in 1968 there were massive student protests in Germany. The student movement brought sociology into the limelight. The Frankfurt School and the more Marxist Marburg School in particular became closely connected with the student movement. As a subject of study, sociology gained enormously in importance, which was connected with the growing need for social reflection in all areas of life. A characteristic feature of sociology in this period was an increasing differentiation into specialized subfields. The number of academic positions for sociologists and the number of students increased, partly as a result of the founding of new universities and of reforms in higher education policy. The increasing number of non-university research institutions complemented sociological research at the universities. This expansion, which coincided with a highly visible public sociology, also led to counter-movements: Conservative sociologists criticized the growing social influence of sociology and propagated an “anti-sociology.” As far as empirical social research is concerned, quantitative research had become more professional; interpretative social research had slowly developed, reinforced by the increasing reception of symbolic interactionism. The “planning euphoria” of the 1960s and 1970s weakened, and many looked at 1968 with disappointment and some even turned away from sociology. There were debates, such as that between representatives of Critical Theory and systems theory (the “Habermas-Luhmann debate”) and the debate on “theory comparison,” and controversies regarding “postmodernism.” The 1980s was the great time for sociological theory in Germany. Also, a further increase in the differentiation and pluralization of the sociological field could be observed.
‘Are You OK?’ Students’ Trust in a Chatbot Providing Support Opportunities
Authors: Pesonen Joonas A.
Published: July 2021

Chatbots show promise as a novel way to provide support to students. However, a central issue with new technologies such as chatbots is whether students trust the technology. In the present study, we use a chatbot to proactively offer academic and non-academic support to students (N = 274) in a Finnish vocational education and training (VET) organization. Students responded to the chatbot with a very high response rate (86%), and almost one-fifth (19%) of the respondents disclosed a need for support. Survey with a subset of participants (N = 49) showed satisfactory trust (total trust score 71% as measured by a human-computer trust scale) and satisfaction (average of 3.83 as measured by a five-point customer satisfaction instrument) with the chatbot. Trust was positively correlated with satisfaction as well as students’ likelihood to respond to the chatbot. Our results show that this kind of approach is applicable for recognizing students’ latent needs for support. Future studies should target the formation of trust in more detail and cultural differences in trusting chatbots.
Measuring the Impact of the Once Only Principle for Businesses Across Borders
Authors: Timan Tjerk , van Veenstra Anne Fleur , Karanikolova Kristina
Published: July 2021

The Once-Only Principle (OOP) holds that public administrations ideally collect data from citizens and businesses only once to share this information, within regulatory limits, with other administrative bodies and across Member States. The aim of the OOP is to simplify interaction with public services and contribute to administrative burden reduction. To demonstrate the cross-border application of the OOP for businesses, the Large Scale Pilot European project ‘The Once Only Principle Project (TOOP)’ develops pilots and identifies benefits and challenges as well as (potential) impacts of the adoption of this principle. In this chapter, we explore an Impact Assessment framework for measuring the impact of the OOP on cross-border services for businesses and subsequently validate this framework with members from the TOOP project. During stakeholder sessions organized for this purpose, we find that the OOP potentially has a high impact on government, e.g. by enabling fraud reduction, yet little is known about the impact of the OOP on businesses, and in particular on its cross-border impact. The expected benefits of the OOP likely emerge on the longer term, making identification of short-term impacts challenging. Nonetheless, based on our findings, we recommend to develop and implement methods and tools to measure the impact on the long-term to increase sustainability of the OOP.
Testing Methodology for the TOOP Pilots
Authors: Prentza Andriana , Watrinet Marie-Laure , Leontaridis Lefteris
Published: July 2021

The Once-Only Principle project (TOOP) is an initiative, financed by the EU Program Horizon 2020, with the aim to explore and demonstrate the Once-Only principle through multiple sustainable pilots, using a federated architecture on a cross-border collaborative pan-European scale, enabling the connection of different registries and architectures in different countries for better exchange of information across public administrations. The deployed systems in the different Member States for the different piloting domains are being monitored and tested following the TOOP testing methodology that was developed during the TOOP project and with the use of specifically developed TOOP tools in order to monitor, identify errors and improve the quality of the pilots. The specific piloting tests and milestones are customized per pilot domain and are followed by all Member States piloting in the specific domain. The methodology starts from a technical view at the own Member State level with the verification of a check list, continues with onboard testing and connectivity testing and as the last step a connectathon between different Member States takes place.
Bacteria associated with vascular wilt of poplar
Authors: Kwaśna Hanna , Szewczyk Wojciech , Baranowska Marlena , Behnke-Borowczyk Jolanta
Published: July 2021

In 2017, a 560-ha area of hybrid poplar plantation in northern Poland showed symptoms of tree decline. Leaves appeared smaller, turned yellow–brown, and were shed prematurely. Twigs and smaller branches died. Bark was sunken and discolored, often loosened and split. Trunks decayed from the base. Phloem and xylem showed brown necrosis. Ten per cent of trees died in 1–2 months. None of these symptoms was typical for known poplar diseases. Bacteria in soil and in the necrotic base of poplar trunk were analyzed with Illumina sequencing. Soil and wood were colonized by at least 615 and 249 taxa. The majority of bacteria were common to soil and wood. The most common taxa in soil were: Acidobacteria (14.76%), Actinobacteria (14.58%), Proteobacteria (36.87) with Betaproteobacteria (6.52%), (6.10%), Comamonadaceae (2.79%), and Verrucomicrobia (5.31%).The most common taxa in wood were: Bacteroidetes (22.72%) including Chryseobacterium (5.07%), Flavobacteriales (10.87%), Sphingobacteriales (9.40%) with Pedobacter cryoconitis (7.31%), Proteobacteria (73.79%) with Enterobacteriales (33.25%) including Serratia (15.30%) and Sodalis (6.52%), Pseudomonadales (9.83%) including Pseudomonas (9.02%), Rhizobiales (6.83%), Sphingomonadales (5.65%), and Xanthomonadales (11.19%). Possible pathogens were Pseudomonas, Rhizobium and Xanthomonas. The potential initial, endophytic character of bacteria is discussed. Soil and possibly planting material might be the reservoir of pathogen inoculum.
Outplanting of branching Acropora enhances recolonization of a fish species and protects massive corals from predation
Authors: Tiddy I. C. , Kaullysing D. , Bailey D. M. , Chumun P. K. , Killen S. S. , Le Vin A. , Bhagooli R.
Published: July 2021

Damselfish of the genus Stegastes inhabit territories and cultivate algal gardens on branching corals of the genus Acropora, aggressively protecting their territories from other fish and preventing predation upon corals within the territory. This behaviour has important ecological impacts and could also be useful in reducing predation on outplanted corals during reef restoration efforts. However, the degree of protection from predators may depend on the ability of Stegastes spp. to recolonise outplanted or newly established coral colonies. Protection of bleaching-resilient massive corals within territories may be of particular importance due to the role of these corals in maintaining coral cover following bleaching events. This study examined whether the presence of Stegastes spp. reduces predation on the massive bleaching-resilient coral Porites lutea in the Mauritian lagoon, and whether Stegastes spp. readily colonise outplanted branching coral fragments and provide adjacent massive corals with indirect protection from predation. Predation levels on wild-occurring and outplanted P. lutea within and outside Stegastes spp. territories were measured. In addition, Acropora muricata branches were outplanted adjacent to wild P. lutea colonies outside Stegastes spp. territories, and recolonisation of these outplants by Stegastes spp. and the impacts of recolonisation on predation were monitored. Both wild and outplanted P. lutea colonies within Stegastes spp. territories sustained less predation damage compared to colonies outside territories. Stegastes spp. recolonized outplanted A. muricata colonies within six months of outplanting, and in doing so returned predation protection to adjacent P. lutea colonies. The ability of Stegastes spp. to colonise outplanted corals and provide indirect protection to adjacent massive bleaching-resilient corals may inform coral outplanting efforts in systems where Stegastes spp. are common. Encouraging Stegastes spp. recolonisation may help to reduce predation damage to corals within territories and potentially improve the success of rehabilitation efforts.
Be water my friend: mesh assimilation
Authors: Bukenberger Dennis R. , Lensch Hendrik P. A.
Published: July 2021

Inspired by the ability of water to assimilate any shape, if being poured into it, regardless if flat, round, sharp, or pointy, we present a novel, high-quality meshing method. Our algorithm creates a triangulated mesh, which automatically refines where necessary and accurately aligns to any target, given as mesh, point cloud, or volumetric function. Our core optimization iterates over steps for mesh uniformity, point cloud projection, and mesh topology corrections, always guaranteeing mesh integrity and $$\epsilon $$
ϵ
-close surface reconstructions. In contrast with similar approaches, our simple algorithm operates on an individual vertex basis. This allows for automated and seamless transitions between the optimization phases for rough shape approximation and fine detail reconstruction. Therefore, our proposed algorithm equals established techniques in terms of accuracy and robustness but supersedes them in terms of simplicity and better feature reconstruction, all controlled by a single parameter, the intended edge length. Due to the overall increased versatility of input scenarios and robustness of the assimilation, our technique furthermore generalizes multiple established approaches such as ballooning or shrink wrapping.
Neuropsychological deficits have only limited impact on psychological well-being in amyotrophic lateral sclerosis
Authors: Schrempf Till , Finsel Julia , Uttner Ingo , Ludolph Albert C. , Lulé Dorothée
Published: July 2021

Objective

To investigate the association between neuropsychological deficits and psychological well-being in amyotrophic lateral sclerosis (ALS).

Methods

Subjective (Schedule for the Evaluation of the Individual Quality of Life-Direct Weighting, SEIQoL-DW) and global quality of life (QoL; Anamnestic Comparative Self-Assessment, ACSA) as well as depression (ALS-Depression-Inventory, ADI-12) as indicators for psychological well-being were measured in 214 patients with ALS and correlated with neurocognitive performance assessed by the Edinburgh Cognitive and Behavioural ALS Screen (ECAS). Primary caregivers evaluated behaviour. Patients were classified to be cognitively (ALSci) or behaviourally impaired (ALSbi) according to Strong criteria.

Results

ALSbi patients had poorer psychological well-being than patients without behavioural alterations, while the psychological well-being of patients with and without neurocognitive deficits was comparable.

Conclusion

The study provides evidence that minor neuropsychological deficits do not interfere with psychological well-being of ALS in contrast to alterations on behavioural level. Thus, abnormalities in individual cognitive domains have limited relevance for the patients’ everyday life in comparison to the impact of behavioural alterations.
Automatic steel grades design for Jominy profile achievement through neural networks and genetic algorithms
Authors: Vannucci Marco , Colla Valentina
Published: July 2021

The paper proposes an approach to the design of the chemical composition of steel, which is based on neural networks and genetic algorithms and aims at achieving a desired hardenability behavior possibly matching other constraints related to the steel production. Hardenability is a mechanical feature of steel, which is extremely relevant for a wide range of steel applications and refers to the steel capability to improve its hardness following a heat treatment. In the proposed approach, a neural-network-based predictor of the so-called Jominy hardenability profile is exploited, and an optimization problem is formulated, where the optimization function allows taking into account both the desired accuracy in meeting the target Jominy profile and other constraint. The optimization is performed through genetic algorithms. Numerical results are presented and discussed, showing the efficiency of the proposed approach together with its flexibility and easy customization with respect to the user demands and production objectives.
The Moral Irrelevance of Constitutive Luck
Authors: Diamantis Mihailis E.
Published: July 2021

One’s constitution—whether one is generous or miserly, temperate or intemperate, kind or mean, etc.—is beyond one’s control in significant respects. Yet one’s constitution affects how one acts. And how one acts affects one’s moral standing. The counterintuitive inference—the so-called problem of constitutive moral luck—is that one’s moral standing is, to some significant extent, beyond one’s control. This article grants the premises but resists the inference. It argues that one’s constitution should have no net impact on one’s moral standing. While a bad constitution lowers the chance that one will act morally, it offers significant gains to moral standing should that chance materialize. A good constitution increases one’s chance of performing good acts but for correspondingly more modest gains. This effect should smooth out, and possibly eliminate, the expected impact of constitution on moral standing.
Reduced Models of Cardiomyocytes Excitability: Comparing Karma and FitzHugh–Nagumo
Authors: Gonzalez Herrero Maria Elena , Kuehn Christian , Tsaneva-Atanasova Krasimira
Published: July 2021

Since Noble adapted in 1962 the model of Hodgkin and Huxley to fit Purkinje fibres, the refinement of models for cardiomyocytes has continued. Most of these models are high-dimensional systems of coupled equations so that the possible mathematical analysis is quite limited, even numerically. This has inspired the development of reduced, phenomenological models that preserve qualitatively the main feature of cardiomyocyte’s dynamics. In this paper, we present a systematic comparison of the dynamics between two notable low-dimensional models, the FitzHugh–Nagumo model (FitzHugh in Bull Math Biophys 17:257–269, 1955, J Gen Physiol 43:867–896, 1960, Biophys J 1:445–466, 1961) as a prototype of excitable behaviour and a polynomial version of the Karma model (Karma in Phys Rev Lett 71(7):16, 1993, Chaos 4:461, 1994) which is specifically developed to fit cardiomyocyte’s behaviour well. We start by introducing the models and considering their pure ODE versions. We analyse the ODEs employing the main ideas and steps used in the setting of geometric singular perturbation theory. Next, we turn to the spatially extended models, where we focus on travelling wave solutions in 1D. Finally, we perform numerical simulations of the 1D PDE Karma model varying model parameters in order to systematically investigate the impact on wave propagation velocity and shape. In summary, our study provides a reference regarding key similarities as well as key differences of the two models.
Practical interpretation of pressure tests of hydraulically fractured vertical wells with finite-conductivity in naturally fractured oil and gas formations
Authors: Jongkittinarukorn Kittiphong , Escobar Freddy Humberto , Ramirez Diana Manuela , Suescún-Díaz Daniel
Published: July 2021

This paper presents a well test interpretation methodology using characteristic points and lines found on the pressure and pressure derivative versus time log–log plot for the characterization of a finite-conductivity fractured vertical hydrocarbon well in a double-porosity (heterogeneous) formation considering a new and practical analytical Laplacian model which require less computational time and have more accuracy than semi-analytical models. Some existing equations are found to work well for the new model, and new expressions are developed. The accuracy of the developed equations is successfully tested with synthetical examples.
Succesvolle behandeling van IgG4-gerelateerde retroperitoneale fibrose met rituximab
Authors: van Maaren Lucas , Marcelissen Tom , Slot Marjan , Hermans Tom
Published: July 2021

Samenvatting

Ontregelingen in het adaptieve en humorale immuunsysteem kunnen leiden tot IgG4-gerelateerde ziekte. Deze zeldzame ziekte kan zich manifesteren in verschillende organen, waaronder het retroperitoneum. Aldaar kan het aanleiding geven tot fibrose, met als voornaamste uitingen nierfunctiestoornissen door postrenale obstructie en/of pijnklachten. Naar aanleiding van twee casus beschrijven wij de klinische presentatie, diagnostiek en behandeling van dit ziektebeeld bij patiënten die na een eerdere behandeling met prednison succesvol werden behandeld met rituximab.
COVID-19 and women's nutrition security: panel data evidence from rural India
Authors: Gupta Soumya , Seth Payal , Abraham Mathew , Pingali Prabhu
Published: July 2021

In response to the COVID-19 pandemic, India implemented a stringent nationwide lockdown. Although food value chains and allied activities were exempted from the lockdown, there were widespread disruptions in food access and availability. Using two panel-datasets, we distinguish the pandemic's impact on non-staples versus staples in relation to household food availability and women’s diet diversity at the national, state, and district levels in four economically backward districts of Uttar Pradesh (Maharajganj), Bihar (Munger), and Odisha (Kandhamal and Kalahandi). Both the primary and secondary data indicate a decline in household food expenditures and women’s dietary diversity in May 2020 compared to May 2019, particularly for non-staples like meats, eggs, vegetables and fruits. This occurred despite special PDS, direct benefit transfer, and ration from aanganwadis rations reaching 80%, 50%, and 30% of surveyed households, respectively. While national and state-level expenditures recovered to the pre-lockdown levels by June 2020, the district-level expenditures did not recover. Our findings contribute to the growing body of evidence of women's disproportionate vulnerability to economic shocks, the impact of a staple grain focused safety net program, and restricted markets on the access and availability of diverse nutritious foods. This paper makes a case for policy reforms towards PDS diversification to include nutrition-rich foods and market reforms to remove supply-side bottlenecks and expansion of direct benefit transfers for healthy food access. We also highlight the importance of gender-responsive safety nets and their increased coverage for improving intrahousehold nutritional disadvantages.