bluuebunny/crossref_metadata_2025 huggingface dataset:
TMPRSS2‐ERG fusion impacts anterior tumor location in men with prostate cancer
Authors: Yamoah Kosj , Lal Priti , Awasthi Shivanshu , Naghavi Arash O. , Rounbehler Robert J. , Gerke Travis , Berglund Anders E. , Pow‐Sang Julio M. , Schaeffer Edward M. , Dhillon Jasreman , Park Jong Y. , Rebbeck Timothy R.
Published: November 2020

Background

In prostate cancer (PCa), lack of androgen receptor (AR) regulated TMPRSS2‐ETS‐related gene (ERG) gene fusion (ERGnegative) status has been associated with African American race; however, the implications of ERG status for the location of dominant tumors within the prostate remains understudied.

Methods

An African American‐enriched multiinstitutional cohort of 726 PCa patients consisting of both African American men (AAM; n = 254) and European American men (EAM; n = 472) was used in the analyses. Methods of categorical analysis were used. Messenger RNA (mRNA) expression differences between anterior and posterior tumor lesions were analyzed using Wilcoxon rank‐sum tests with multiple comparison corrections.

Results

Anti‐ERG immunohistochemistry staining showed that the association between ERG status and anterior tumors is independent of race and is consistently robust for both AAM (ERGnegative 81.4% vs. ERGpositive 18.6%; p = .005) and EAM (ERGnegative 60.4% vs. ERGpositive 39.6%; p < .001). In a multivariable model, anterior tumors were more likely to be IHC‐ERGnegative (odds ratio [OR]: 3.20; 95% confidence interval [CI]: 2.14–4.78; p < .001). IHC‐ERGnegative were also more likely to have high‐grade tumors (OR: 1.73; 95% CI: 1.06–2.82; p = .02). In the exploratory genomic analysis, mRNA expression of location‐dependent genes is highly influenced by ERG status and African American race. However, tumor location did not impact the expression of AR or the major canonical AR‐target genes (KLK3, AMACR, and MYC).

Conclusions

ERGnegative tumor status is the strongest predictor of anterior prostate tumors, regardless of race. Furthermore, AR expression and canonical AR signaling do not impact tumor location.
Simplified geometric representations of protein structures identify complementary interaction interfaces
Authors: McCafferty Caitlyn L. , Marcotte Edward M. , Taylor David W.
Published: November 2020

Protein‐protein interactions are critical to protein function, but three‐dimensional (3D) arrangements of interacting proteins have proven hard to predict, even given the identities and 3D structures of the interacting partners. Specifically, identifying the relevant pairwise interaction surfaces remains difficult, often relying on shape complementarity with molecular docking while accounting for molecular motions to optimize rigid 3D translations and rotations. However, such approaches can be computationally expensive, and faster, less accurate approximations may prove useful for large‐scale prediction and assembly of 3D structures of multi‐protein complexes. We asked if a reduced representation of protein geometry retains enough information about molecular properties to predict pairwise protein interaction interfaces that are tolerant of limited structural rearrangements. Here, we describe a reduced representation of 3D protein accessible surfaces on which molecular properties such as charge, hydrophobicity, and evolutionary rate can be easily mapped, implemented in the MorphProt package. Pairs of surfaces are compared to rapidly assess partner‐specific potential surface complementarity. On two available benchmarks of 185 overall known protein complexes, we observe predictions comparable to other structure‐based tools at correctly identifying protein interaction surfaces. Furthermore, we examined the effect of molecular motion through normal mode simulation on a benchmark receptor‐ligand pair and observed no marked loss of predictive accuracy for distortions of up to 6 Å Cα‐RMSD. Thus, a shape reduction of protein surfaces retains considerable information about surface complementarity, offers enhanced speed of comparison relative to more complex geometric representations, and exhibits tolerance to conformational changes.
Journey of Hydrocotyle sibthorpioides Lam.: From traditional utilization to modern therapeutics—A review
Authors: Hazarika Iswar , Mukundan Geetha K. , Sundari P. Sivakami , Laloo Damiki
Published: November 2020

Hydrocotyle sibthorpioides Lam. (Araliaceae) is a short and edible medicinal herb, which is used in the traditional system of medicines. The review aims to report the current information of H. sibthorpioides on the basis of its botanical and taxonomical description, traditional use, active phytoconstituents, pharmacological use and toxicity. The information on H. sibthorpioides with respect to its journey from traditional uses to scientific validation was gathered based on the online survey. The results from the review signify that the plant is used by the different tribes of the world for the treatment of patients suffering from fever, edema, dysentery, rheumatalgia, whooping cough, jaundice, throat pain, psoriasis, herpes zoster infection, hepatitis‐B infection, soothing pain, dysmenorrhoea and carbunculosis. It is also used as a brain tonic, detoxifying agent and hepatoprotective agent. Scientific investigation reported that the plant has a significant pharmacological activity, viz. cognitive agent, anti‐cancer, antiviral, antibacterial, anti‐fungal and hepatoprotective. Moreover, based on the phytochemical aspects, a total of 50 phytoconstituents was identified and isolated from the plant. In conclusion, the outcome of this review will be useful for (a) developing a comprehensive plant profile; (b) assist investigators for exploring further research; and (c) to fulfil the gaps lacking in terms of clinical studies.
Rhabdomyolysis associated with clozapine and haloperidol
Authors: Lam Y. W. Francis
Published: November 2020

The atypical antipsychotic clozapine is primarily used for patients with treatment‐refractory schizophrenia. Despite the drug's efficacy, its usefulness is limited by the occurrence of significant side effects, such as life‐threatening agranulocytosis, which occurs in 1 to 2% of treated patients. Another rare yet dangerous side effect of clozapine is rhabdomyolysis.
Formation of positive product ions from substances with low proton affinity in high kinetic energy ion mobility spectrometry
Authors: Allers Maria , Kirk Ansgar T. , Schaefer Christoph , Schlottmann Florian , Zimmermann Stefan
Published: November 2020

Rationale

Ion mobility spectrometry (IMS) instruments are typically equipped with atmospheric pressure chemical ionization (APCI) sources operated at ambient pressure. However, classical APCI‐IMS suffers from a limited ionization yield for nonpolar substances with low proton affinity (PA). This is mainly due to ion clustering processes, especially those that involve water molecules, inhibiting the ionization of these substances.

Methods

High Kinetic Energy (HiKE)‐IMS instruments are operated at decreased pressures and high reduced electric field strengths. As most clustering reactions are inhibited under these conditions, the ionization yield for nonpolar substances with low PA in HiKE‐IMS should differ from that in classical APCI‐IMS. To gain first insights into the ionization capabilities and limitations of HiKE‐IMS, we investigated the ionization of four model substances with low PA in HiKE‐IMS using HiKE‐IMS‐MS as a function of the reduced electric field strength.

Results

The four model substances all have proton affinities between those of H2O and (H2O)2 but exhibit different ionization energies, dipole moments, and polarizabilities. As expected, the results show that the ionization yield for these substances differs considerably at low reduced electric field strengths due to ion cluster formation. In contrast, at high reduced electric field strengths, all substances can be ionized via charge and/or proton transfer in HiKE‐IMS.

Conclusions

Considering the detection of polar substances with high PAs, classical ambient pressure IMS should reach better detection limits than HiKE‐IMS. However, considering the detection of nonpolar substances with low PA that are not detected, or only difficult to detect, at ambient pressure, HiKE‐IMS would be beneficial.
Screening for illegal addition of glucocorticoids in adulterated cosmetic products using ultra‐performance liquid chromatography/tandem mass spectrometry with precursor ion scanning
Authors: Jian Longhai , Yuan Xiaoqian , Han Jing , Zheng Rong , Peng Xingsheng , Wang Ke
Published: November 2020

Rationale

The screening for illegal adulteration of glucocorticoids (GCs) in cosmetics is challenging due to the vast variety of potential GCs that are present to improve the declared effects. An effective analytical method to screen illegally added GCs in cosmetics is vital to protect consumers.

Methods

An ultra‐performance liquid chromatography/tandem mass spectrometry (UPLC/MS/MS) method using precursor ion scanning (PIS) acquisition mode was developed to screen GCs in cosmetics. Forty‐seven GCs were investigated to identify their common product ions formed by collision‐induced dissociation. Cosmetic samples spiked with GCs were extracted using solid‐phase extraction.

Results

Four common positive product ions, m/z 121, 135, 147, and 171, were selected for PIS analysis. Limits of detection (LODs) were established for all 47 GCs. The method was validated on spiked samples to ensure its effectiveness in terms of sensitivity and selectivity. Sixty samples were analyzed. Seven GCs were detected in six samples.

Conclusions

An effective screening method using UPLC/MS/MS with PIS acquisition mode was developed and successfully applied to screen for targeted and untargeted GCs in cosmetic samples.
Selective Fabrication of Single‐Molecule Junctions by Interface Engineering
Authors: Zeng Biao‐Feng , Wang Gan , Qian Qiao‐Zan , Chen Zhi‐Xin , Zhang Xia‐Guang , Lu Zhi‐Xing , Zhao Shi‐Qiang , Feng An‐Ni , Shi Jia , Yang Yang , Hong Wenjing
Published: November 2020

Recent progress in addressing electrically driven single‐molecule behaviors has opened up a path toward the controllable fabrication of molecular devices. Herein, the selective fabrication of single‐molecule junctions is achieved by employing the external electric field. For molecular junctions with methylthio (–SMe), thioacetate (–SAc), amine (–NH2), and pyridyl (–PY), the evolution of their formation probabilities along with the electric field is extracted from the plateau analysis of individual single‐molecule break junction traces. With the increase of the electric field, the SMe‐anchored molecules show a different trend in the formation probability compared to the other molecular junctions, which is consistent with the density functional theory calculations. Furthermore, switching from an SMe‐anchored junction to an SAc‐anchored junction is realized by altering the electric field in a mixed solution. The results in this work provide a new approach to the controllable fabrication and modulation of single‐molecule junctions and other bottom‐up nanodevices at molecular scales.
A square lattice topology coordination network that exhibits highly selective C2H2/CO2 separation performance
Authors: Kumar Naveen , Mukherjee Soumya , Bezrukov Andrey A. , Vandichel Matthias , Shivanna Mohana , Sensharma Debobroto , Bajpai Alankriti , Gascón Victoria , Otake Ken‐ichi , Kitagawa Susumu , Zaworotko Michael J.
Published: November 2020

C2H2/CO2 separation is an industrially important process that remains challenging because of the similar physicochemical properties of C2H2 and CO2. We herein report that the new square lattice (sql) coordination network [Cu(bipy‐xylene)2(NO3)2]n, sql‐16‐Cu‐NO3, 16 = bipy‐xylene = 4,4′‐(2,5‐dimethyl‐1,4‐phenylene)dipyridine, exists in at least three forms, as‐synthesised (α), activated (α′) and hydrated (β). The activated phase, sql‐16‐Cu‐NO3‐α′, is an ultramicroporous material that exhibits high selectivity towards C2H2 over CO2 as revealed by dynamic gas breakthrough experiments (1:1, C2H2/CO2) that afforded 99.87% pure CO2 in the effluent stream. The separation selectivity at 298 K and 1 bar, 78, is the third best value yet reported for C2H2 selective physisorbents whereas the mid‐loading performance sets a new benchmark. The performance of sql‐16‐Cu‐NO3‐α′ is attributed to a new type of C2H2 binding site in which CH···ONO2 interactions enable moderately strong sorbent‐sorbate binding (Qst (C2H2) = 38.6 kJ/mol) at low loading. Conversely, weak CO2 binding (Qst (CO2) = 25.6 kJ/mol) at low loading means that (ΔQst)AC [Qst (C2H2)–Qst (CO2)] is 13 kJ/mol at low coverage and 11.4 kJ/mol at mid‐loading. Analysis of in situ powder X‐ray diffraction and modelling experiments provide insight into the sorption properties and high C2H2/CO2 separation performance of sql‐16‐Cu‐NO3‐α′.
Engineering faster sorters for small sets of items
Authors: Bingmann Timo , Marianczuk Jasper , Sanders Peter
Published: November 2020

Sorting a set of items is a task that can be useful by itself or as a building block for more complex operations. That is why a lot of effort has been put into finding sorting algorithms that sort large sets as efficiently as possible. But the more sophisticated and complex the algorithms become, the less efficient they are for small sets of items due to large constant factors. A relatively simple sorting algorithm that is often used as a base case sorter is insertion sort, because it has small code size and small constant factors influencing its execution time. We aim to determine if there is a faster way to sort small sets of items to provide an efficient base case sorter. We looked at sorting networks, at how they can improve the speed of sorting few elements, and how to implement them in an efficient manner using conditional moves. Since sorting networks need to be implemented explicitly for each set size, providing networks for larger sizes becomes less efficient due to increased code sizes. To also enable the sorting of slightly larger base cases, we adapted sample sort to Register Sample Sort, to break down those larger sets into sizes that can in turn be sorted by sorting networks. From our experiments we found that when sorting only small sets of integers, the sorting networks outperform insertion sort by a factor of at least 1.76 for any array size between six and 16, and by a factor of 2.72 on average across all machines and array sizes. When integrating sorting networks as a base case sorter into Quicksort, we achieved far less performance improvements over using insertion sort, which is probably due to the networks having a larger code size and cluttering the L1 instruction cache. The same effect occurs when including Register Sample Sort as a base case sorter for IPSo. But for x86 machines that have a larger L1 instruction cache of 64 KiB or more, we obtained speedups of 12.7% when using sorting networks as a base case sorter in std::sort, and of 5%–6% when integrating Register Sample Sort as a base case sorter into IPSo, each in comparison to using insertion sort as the base case sorter. In conclusion, the desired improvement in speed could only be achieved under special circumstances, but the results clearly show the potential of using conditional moves in the field of sorting algorithms.
Aligned Arrays of Na2Ti3O7 Nanobelts and Nanowires on Carbon Nanofiber as High‐Rate and Long‐Cycling Anodes for Sodium‐Ion Hybrid Capacitors
Authors: Wang Huanwen , Xu Dongming , Qiu Ruyun , Tang Shasha , Li Shuai , Wang Rui , He Beibei , Gong Yansheng , Fan Hong Jin
Published: November 2020

Sodium‐ion capacitors (SICs) have attracted extensive attentions due to their integration of high‐energy battery and high‐power capacitor as well as the naturally abundant sodium resource. A major challenge of current SICs is to achieve high rate performance and long‐cycle stability of the battery‐type anode. Herein, fast sodium storage is achieved from sodium titanate (Na2Ti3O7) arrays that are uniformly grown on highly conductive carbon nanofiber networks with a high mass loading of 5.6 mg cm−2. Nanowires and nanobelts of Na2Ti3O7 are both synthesized, and their Na‐ion storage properties are compared. Both arrays can be used as binder‐free and flexible electrodes, but the nanobelts exhibit higher specific capacity and better rate performance than the nanowires with similar mass loading. The difference between two types of nanostructures is ascribed to their different kinetics in ion/charge transport, according to the electrochemical impedance data. SIC full devices consisting of the Na2Ti3O7 nanobelt anode and biomass‐derived porous carbon cathode are constructed, which show pretty high specific energy and power performance.
Optical coherence tomography: From technology to applications in ophthalmology
Authors: Everett Matthew , Magazzeni Stephanie , Schmoll Tilman , Kempe Michael
Published: November 2020

The relatively fast translation of optical coherence tomography (OCT) from an optical measurement technology to a standard of care in ophthalmology was driven by its ability to address clear unmet diagnostic needs. OCT's further technological developments have expanded its clinical use by extending the imaging range (wider, deeper) and the imaging contrast (from morphology to blood flow). The translation of technical advances into clinical value is an ongoing process involving both the potential substitution of established diagnostics (such as fundus angiography) and the identification of novel feature‐disease correlations. This review looks into the development, the status and the prospects of OCT with regard to translation to clinical routine in ophthalmology.
Molecule‐Based Transistors: From Macroscale to Single Molecule.
Authors: Li Peihui , Jia Chuancheng , Guo Xuefeng
Published: November 2020

Molecule‐based field‐effect transistors (FETs) are of great significance as they have a wide range of application prospects, such as logic operations, information storage and sensor monitoring. This account mainly introduces and reviews our recent work in molecular FETs. Specifically, through molecular and device design, we have systematically investigated the construction and performance of FETs from macroscale to nanoscale and even single molecule. In particular, we have proposed the broad concept of molecular FETs, whose functions can be achieved through various external controls, such as light stimulation, and other physical, chemical or biological interactions. In the end, we tend to focus the discussion on the development challenges of single‐molecule FETs, and propose prospects for further breakthroughs in this field.
Ultrasound image analysis using deep neural networks for discriminating between benign and malignant ovarian tumors: comparison with expert subjective assessment
Authors: Christiansen F. , Epstein E. L. , Smedberg E. , Åkerlund M. , Smith K. , Epstein E.
Published: November 2020

Objectives

To develop and test the performance of computerized ultrasound image analysis using deep neural networks (DNNs) in discriminating between benign and malignant ovarian tumors and to compare its diagnostic accuracy with that of subjective assessment (SA) by an ultrasound expert.

Methods

We included 3077 (grayscale, n = 1927; power Doppler, n = 1150) ultrasound images from 758 women with ovarian tumors, who were classified prospectively by expert ultrasound examiners according to IOTA (International Ovarian Tumor Analysis) terms and definitions. Histological outcome from surgery (n = 634) or long‐term (≥ 3 years) follow‐up (n = 124) served as the gold standard. The dataset was split into a training set (n = 508; 314 benign and 194 malignant), a validation set (n = 100; 60 benign and 40 malignant) and a test set (n = 150; 75 benign and 75 malignant). We used transfer learning on three pre‐trained DNNs: VGG16, ResNet50 and MobileNet. Each model was trained, and the outputs calibrated, using temperature scaling. An ensemble of the three models was then used to estimate the probability of malignancy based on all images from a given case. The DNN ensemble classified the tumors as benign or malignant (Ovry‐Dx1 model); or as benign, inconclusive or malignant (Ovry‐Dx2 model). The diagnostic performance of the DNN models, in terms of sensitivity and specificity, was compared to that of SA for classifying ovarian tumors in the test set.

Results

At a sensitivity of 96.0%, Ovry‐Dx1 had a specificity similar to that of SA (86.7% vs 88.0%; P = 1.0). Ovry‐Dx2 had a sensitivity of 97.1% and a specificity of 93.7%, when designating 12.7% of the lesions as inconclusive. By complimenting Ovry‐Dx2 with SA in inconclusive cases, the overall sensitivity (96.0%) and specificity (89.3%) were not significantly different from using SA in all cases (P = 1.0).

Conclusion

Ultrasound image analysis using DNNs can predict ovarian malignancy with a diagnostic accuracy comparable to that of human expert examiners, indicating that these models may have a role in the triage of women with an ovarian tumor. © 2020 The Authors. Ultrasound in Obstetrics & Gynecology published by John Wiley & Sons Ltd on behalf of International Society of Ultrasound in Obstetrics and Gynecology.
Fun30 chromatin remodeler helps in dealing with torsional stress and camptothecin‐induced DNA damage
Authors: Al‐Natour Zeina , Chalissery Jisha , Hassan Ahmed H.
Published: November 2020

Fun30 is an ATP‐dependent chromatin remodeler in budding yeast that is involved in cellular processes important for maintaining genomic stability such as gene silencing and DNA damage repair. Cells lacking Fun30 are moderately sensitive to the topoisomerase inhibitor camptothecin and exhibit a delay in cell cycle progression in the presence of camptothecin. Here, we show that Fun30 is required to cope with torsional stress in the absence of Top1. Moreover, we show through genetic studies that Fun30 acts in a parallel pathway to Mus81 endonuclease but is epistatic to Tdp1 phosphodiesterase and Rad1 endonuclease in the repair of camptothecin‐induced DNA damage. More importantly, we show that DNA damage sensitivity of Fun30 deficient cells is enhanced in the absence of RNase H enzymes that remove RNA:DNA hybrids. We believe that chromatin remodeling by Fun30 may be important in dealing with torsional stress and camptothecin‐induced DNA damage.
Prediction of culture-positive sepsis and selection of empiric antibiotics in critically ill patients with complicated intra-abdominal infections: a retrospective study
Authors: Sim Joohyun , Hong Sung Soo , Kwak Jae Young , Jung Yun Tae
Published: November 2020

Purpose

To compare the mortality rates between culture-positive and culture-negative sepsis in complicated intra-abdominal infections (cIAI) and investigate the predictors of culture-positivity and their causative microorganisms.

Materials and methods

The medical records of 1581 adult patients who underwent emergency gastrointestinal surgery between January 2013 and December 2018 were reviewed retrospectively. A total of 239 patients with sepsis or septic shock who were admitted to an emergency department, underwent emergency surgery for cIAI, and needed postoperative intensive care unit care were included and divided into two groups according to their initial blood and peritoneal culture results.

Results

Among the 239 patients, 200 were culture-negative and 39 were culture-positive. The culture-positive group had higher in-hospital (35.9% vs 14.5%; P = .001) and 30-day mortality (30.8% vs 12.0%; P = .003) than the culture-negative group. Colon involvement (OR 4.211; 95% CI 1.909–9.287; P < .001) and higher Sequential Organ Failure Assessment (SOFA) score (OR 1.169; 95% CI 1.065–1.282; P = .001) were shown to be the predictors of culture-positive sepsis for cIAI. Regarding antibiotic sensitivity, 31.6% of the gram-positive bacteria were methicillin-resistant and 42.1% of the gram-negative bacteria were extended spectrum β-lactamase-producing Enterobacteriaceae.

Conclusions

Patients with cIAI had higher mortality rates in culture-positive sepsis than in culture-negative sepsis. High SOFA score and colon involvement were the risk factors associated with culture-positivity. The most common single species grown in the blood or peritoneal cultures was Escherichia coli, and the most common group was Gram-positive cocci.
Spectral Gap in Mean-Field $${\mathcal {O}}(n)$$-Model
Authors: Becker Simon , Menegaki Angeliki
Published: November 2020

We study the dependence of the spectral gap for the generator of the Ginzburg–Landau dynamics for all$$\mathcal O(n)$$O(n)-modelswith mean-field interaction and magnetic field, below and at the critical temperature on the numberNof particles. For our analysis of the Gibbs measure, we use a one-step renormalization approach and semiclassical methods to study the eigenvalue-spacing of an auxiliary Schrödinger operator.
Inflammatory cell-associated tumors. Not only macrophages (TAMs), fibroblasts (TAFs) and neutrophils (TANs) can infiltrate the tumor microenvironment. The unique role of tumor associated platelets (TAPs)
Authors: Dymicka-Piekarska Violetta , Koper-Lenkiewicz Olga M. , Zińczuk Justyna , Kratz Ewa , Kamińska Joanna
Published: November 2020

It is well known that various inflammatory cells infiltrate cancer cells. Next to TAMs (tumor-associated macrophages), TAFs (tumor-associated fibroblasts) and TANs (tumor-associated neutrophils) also platelets form the tumor microenvironment. Taking into account the role of platelets in the development of cancer, we have decided to introduce a new term: tumor associated platelets—TAPs. To the best of our knowledge, thus far this terminology has not been employed by anyone. Platelets are the first to appear at the site of the inflammatory process that accompanies cancer development. Within the first few hours from the start of the colonization of cancer cells platelet-tumor aggregates are responsible for neutrophils recruitment, and further release a number of factors associated with tumor growth, metastasis and neoangiogenesis. On the other hand, it also has been indicated that factors delivered from platelets can induce a cytotoxic effect on the proliferating neoplastic cells, and even enhance apoptosis. Undoubtedly, TAPs’ role seems to be more complex when compared to tumor associated neutrophils and macrophages, which do not allow for their division into TAP P1 and TAP P2, as in the case of TANs and TAMs. In this review we discuss the role of TAPs as an important element of tumor invasiveness and as a potentially new therapeutic target to prevent cancer development. Nevertheless, better exploring the interactions between platelets and tumor cells could help in the formulation of new therapeutic goals that support or improve the effectiveness of cancer treatment.
Decreased deposition and increased swelling of cell walls contribute to increased cracking susceptibility of developing sweet cherry fruit
Authors: Schumann Christine , Sitzenstock Simon , Erz Lisa , Knoche Moritz
Published: November 2020

Main conclusion

During fruit development, cell wall deposition rate decreases and cell wall swelling increases. The cell wall swelling pressure is very low relative to the fruit’s highly negative osmotic potential.

Rain cracking of sweet cherry fruit is preceded by the swelling of the cell walls. Cell wall swelling decreases both the cell: cell adhesion and the cell wall fracture force. Rain cracking susceptibility increases during fruit development. The objectives were to relate developmental changes in cell wall swelling to compositional changes taking place in the cell wall. During fruit development, total mass of cell wall, of pectins and of hemicelluloses increases, but total mass of cellulose remains constant. The mass of these cell wall fractions increases at a lower rate than the fruit fresh mass—particularly during stage II and early stage III. During stage III, on a whole-fruit basis, the HCl-soluble pectin fraction, followed by the water-soluble pectin fraction, the NaOH-soluble pectin fraction and the oxalate-soluble pectin fraction all increase. At maturity, just the HCl-soluble pectin decreases. Cell wall swelling increases during stages I and II of fruit development, with little change thereafter. This was indexed by light microscopy of skin sections following turgor release, and by determinations of the swelling capacity, water holding capacity and water retention capacity. The increase in cell wall swelling during development was due primarily to increases in NaOH-soluble pectins. The in vitro swelling of cell wall extracts depends on the applied pressure. The swelling pressure of the alcohol-insoluble residue is low throughout development and surprisingly similar across different cell wall fractions. Thus, swelling pressure does not contribute significantly to fruit water potential.
The structural chemistry of titanium alkoxide derivatives with OH-substituted bidentate ligands
Authors: Schubert Ulrich , Bendova Maria , Czakler Matthias , Maurer Christian , Visinescu Claudia
Published: November 2020

The organically modified titanium alkoxides Ti2(Oi-Pr)4(OOCCMe2O)2(i-PrOH)2 and Ti4(Oi-Pr)4(SA)6 were obtained from the reaction of Ti(Oi-Pr)4 with 2-hydroxy-isobutyric acid and salicyladoxime (SA-H2), respectively. Reaction of 1,3-dibenzoyl acetone (DBA-H) did not result in a substituted titanium alkoxide derivative, but instead in the oxo cluster Ti4O2(Oi-Pr)8(DBA)2 after allowing moisture to diffuse into the reaction mixture. The three titanium compounds show common structural features which are different to derivatives void of ligand OH groups. The latter play a decisive role in coordinating the ligands to the titanium centers.

Graphic abstract
Analytische Betrachtung von gewickelten Pressverbänden in Anwendung bei Axialflussmaschinen
Authors: Riegler Rainer , Grafinger Manfred
Published: November 2020

Permanenterregte Axialflussmaschinen weisen gegenüber Radialflussmaschinen Vorteile bezüglich der möglichen Abmessungen auf. Bis jetzt wurden vor allem Axialflussmaschinen mit einer vollen Rotorscheibe untersucht. Aufgrund von besseren magnetischen Eigenschaften sind Rotoren aus geschichtetem Elektroblech hergestellt. Radial ausgerichtet führt das zu hohen Kosten, die durch Wicklung des Elektroblechs bei denselben Eigenschaften wesentlich reduziert werden sollen. Die naive numerische Untersuchung mittels FEM scheitert an der großen Anzahl an Kontaktflächen und noch unbekanntem Einfluss der Vorspannung.

Um die mechanische Vorauslegung und Nachrechnung zu ermöglichen werden hier Methoden und Vereinfachungen diskutiert, um Aussagen zur Realisierbarkeit zu erhalten. Es wird das aufgewickelte Blech nicht als archimedische Spirale gerechnet, sondern als Blechringe, die auf die Abtriebswelle aufgezogen werden. Die Abmessungen sind im Vorhinein nur teilweise bekannt und dementsprechend werden mögliche Näherungen angeführt.

Zur Bewertung der Beanspruchung werden vorerst die Vorspannungen bei unendlich dünnem Elektroblech bestimmt und die Anwendbarkeit und Genauigkeit der Gleichungen bei endlich dünnem Elektroblech festgestellt.

Durch diese Vorgehensweise vereinfacht sich die Berechnung erheblich und es kann während der Konstruktion auf die auftretenden Belastungen reagiert werden.
No Evidence for Passive Gene-Environment Correlation or the Influence of Genetic Risk for Psychiatric Disorders on Adult Body Composition via the Adoption Design
Authors: Hunjan Avina K. , Cheesman Rosa , Coleman Jonathan R. I. , Hübel Christopher , Eley Thalia C. , Breen Gerome
Published: November 2020

The relationship between genetic and environmental risk is complex and for many traits, estimates of genetic effects may be inflated by passive gene-environment correlation. This arises because biological offspring inherit both their genotypes and rearing environment from their parents. We tested for passive gene-environment correlation in adult body composition traits using the ‘natural experiment’ of childhood adoption, which removes passive gene-environment correlation within families. Specifically, we compared 6165 adoptees with propensity score matched non-adoptees in the UK Biobank. We also tested whether passive gene-environment correlation inflates the association between psychiatric genetic risk and body composition. We found no evidence for inflation of heritability or polygenic scores in non-adoptees compared to adoptees for a range of body composition traits. Furthermore, polygenic risk scores for anorexia nervosa, attention-deficit/hyperactivity disorder and schizophrenia did not differ in their influence on body composition traits in adoptees and non-adoptees. These findings suggest that passive gene-environment correlation does not inflate genetic effects for body composition, or the influence of psychiatric disorder genetic risk on body composition. Our design does not look at passive gene-environment correlation in childhood, and does not test for ‘pure’ environmental effects or the effects of active and evocative gene-environment correlations, where child genetics directly influences home environment. However, these findings suggest that genetic influences identified for body composition in this adult sample are direct, and not confounded by the family environment provided by biological relatives.
The BepiColombo Mercury Imaging X-Ray Spectrometer: Science Goals, Instrument Performance and Operations
Authors: Bunce Emma J. , Martindale Adrian , Lindsay Simon , Muinonen Karri , Rothery David A. , Pearson Jim , McDonnell Ivor , Thomas Chris , Thornhill Julian , Tikkanen Tuomo , Feldman Charly , Huovelin Juhani , Korpela Seppo , Esko Eero , Lehtolainen Arto , Treis Johannes , Majewski Petra , Hilchenbach Martin , Väisänen Timo , Luttinen Arto , Kohout Tomas , Penttilä Antti , Bridges John , Joy Katherine H. , Alcacera-Gil Maria Angeles , Alibert Guilhem , Anand Mahesh , Bannister Nigel , Barcelo-Garcia Corinne , Bicknell Chris , Blake Oliver , Bland Phil , Butcher Gillian , Cheney Andy , Christensen Ulrich , Crawford Tony , Crawford Ian A. , Dennerl Konrad , Dougherty Michele , Drumm Paul , Fairbend Raymond , Genzer Maria , Grande Manuel , Hall Graeme P. , Hodnett Rosie , Houghton Paul , Imber Suzanne , Kallio Esa , Lara Maria Luisa , Balado Margeli Ana , Mas-Hesse Miguel J. , Maurice Sylvestre , Milan Steve , Millington-Hotze Peter , Nenonen Seppo , Nittler Larry , Okada Tatsuaki , Ormö Jens , Perez-Mercader Juan , Poyner Richard , Robert Eddy , Ross Duncan , Pajas-Sanz Miriam , Schyns Emile , Seguy Julien , Strüder Lothar , Vaudon Nathalie , Viceira-Martín Jose , Williams Hugo , Willingale Dick , Yeoman Tim
Published: November 2020

The Mercury Imaging X-ray Spectrometer is a highly novel instrument that is designed to map Mercury’s elemental composition from orbit at two angular resolutions. By observing the fluorescence X-rays generated when solar-coronal X-rays and charged particles interact with the surface regolith, MIXS will be able to measure the atomic composition of the upper ∼10-20 μm of Mercury’s surface on the day-side. Through precipitating particles on the night-side, MIXS will also determine the dynamic interaction of the planet’s surface with the surrounding space environment.

MIXS is composed of two complementary elements: MIXS-C is a collimated instrument which will achieve global coverage at a similar spatial resolution to that achieved (in the northern hemisphere only – i.e. ∼ 50 – 100 km) by MESSENGER; MIXS-T is the first ever X-ray telescope to be sent to another planet and will, during periods of high solar activity (or intense precipitation of charged particles), reveal the X-ray flux from Mercury at better than 10 km resolution. The design, performance, scientific goals and operations plans of the instrument are discussed, including the initial results from commissioning in space.
The assessment of positive impacts in LCA of products
Authors: Croes Pim R. , Vermeulen Walter J.V.
Published: November 2020

Purpose

The objective of this paper is to open a discussion on the implications and challenges of including positive impacts in LCAs of products and to propose a set of criteria for their inclusion in LCA in general and in the Oiconomy system in particular.

Methods

Using the existing literature, guided by the recent reviews by Di Cesare et al. (2018), Petti et al. (2016), and Ekener-Petersen et al. (Int J Life Cycle Assess 23(3):1–13, 2016) and our own experience and logic, we assess ethical and practical issues, shortcomings, potential inconsistencies, and problems of inclusion of positive impacts and propose criteria for inclusion of positive impacts in LCA.

Results

Discussed in relation to the inclusion of positive impacts in LCA are the conflicting descriptive and prescriptive character of LCA, the inclusion of internalities, considering “absence of negative impacts” as positive, measuring by status or by change and the therewith involved temporal scope, moral consequences of comparing positive and negative impacts to different stakeholder groups, the requirement of a capacity-raising character and maintenance of a positive impact, rebound effects, R&D, background and foreground data on positive impacts, and the inclusion of employment and product utilities as positive impacts. Based on this assessment, we propose a set of criteria for the assessment of positive impacts in life cycle assessment in general and especially of positive contributions in the “Oiconomy system”.

Conclusions

This study demonstrates several serious ethical and practical issues and challenges related to inclusion of positive impacts in LCA. An especially difficult question is how to interpret the economic concepts of “externalities” and “internalities” in relation to LCA. A special definition of in- and externalities for LCA purposes is proposed. The importance of a “capacity-raising” character of a positive impact is demonstrated, but also some of the difficulties of distinguishing capacity raising from maintaining the current status. Important outcomes are that for a consistent LCA, inclusion of most internalities and absence of negative impacts must be dissuaded, which also applies to employment and wages unless without a range of additional criteria. Great caution must be taken with inclusion of product utilities, comparing the positives for one stakeholder group with the negatives for another and mixing measurement by status with measurement by change.
Measuring Muscle Mass and Strength in Obesity: a Review of Various Methods
Authors: Sizoo Dionne , de Heide Loek J. M. , Emous Marloes , van Zutphen Tim , Navis Gerjan , van Beek André P.
Published: November 2020

Lower muscle mass in populations with obesity is associated obesity-related diseases like hypertension and type 2 diabetes mellitus. Bariatric surgery leads to sustained weight loss. During the weight reduction, loss of muscle should be minimized. Thus reliable quantification of muscle mass is much needed and therefore the also the need for validated methods. Imaging methods, magnetic resonance imaging and computed tomography scan, have been the gold standard for many years. However, these methods are costly and have limitations such as the maximum weight. Dual-energy X-ray absorptiometry is currently the most used alternative. Other, less expensive methods are very limited in their validation in populations with morbid obesity. This narrative review summarizes the current knowledge regarding measuring muscle mass and strength in obesity.
Modeling and projecting health-relevant combined ozone and temperature events in present and future Central European climate
Authors: Jahn Sally , Hertig Elke
Published: November 2020

Statistical models to evaluate the relationships between large-scale meteorological conditions, prevailing air pollution levels and combined ozone and temperature events, were developed during the 1993–2012 period with Central Europe as regional focus. Combined ozone and temperature events were defined based on the high frequency of coinciding, health-relevant elevated levels of daily maximum tropospheric ozone concentrations (based on running 8-h means) and daily maximum temperature values in the peak ozone and temperature season from April to September. By applying two different modeling approaches based on lasso, logistic regression, and multiple linear regression mean air temperatures at 850 hPa, ozone persistence, surface thermal radiation, geopotential heights at 850 hPa, meridional winds at 500 hPa, and relative humidity at 500 hPa were identified as main drivers of combined ozone and temperature events. Statistical downscaling projections until the end of the twenty-first century were assessed by using the output of seven models of the Coupled Model Intercomparison Project Phase 5 (CMIP5). Potential frequency shifts were evaluated by comparing the mid- (2031–2050) and late-century (2081–2100) time windows to the base period (1993–2012). A sharp increase of ozone-temperature events was projected under RCP4.5 and RCP8.5 scenario assumptions with respective multi-model mean changes of 8.94% and 16.84% as well as 13.33% and 37.52% for mid- and late-century European climate.
Sustainability risks & opportunities in the insurance industry
Authors: Gatzert Nadine , Reichel Philipp , Zitzmann Armin
Published: November 2020

The aim of this paper is to provide an overview of relevant sustainability risks and opportunities in the insurance industry, where we address the asset side, the liability side, and a broader corporate perspective. Furthermore, we discuss approaches on how insurers can deal with these sustainability risks and opportunities, and provide selected empirical insight from the literature and (industry) surveys on current practices mostly for the European market. Our study emphasizes that while climate change represents an important factor in this context, it is by far not the only one. Insurers should thus take a broader approach on managing sustainability risks and opportunities. Furthermore, key barriers include a lack of data and knowledge, which impede transparency between firms with respect to their sustainable management approach.
First Year Students’ Resilience to Cope with Mathematics Exercises in the University Mathematics Studies
Authors: Neumann Irene , Jeschke Colin , Heinze Aiso
Published: November 2020

University mathematics studies are known for high dropout especially in the freshmen year. This dropout is often traced back to the excessive demands freshmen have to face. Research aimed at identifying students’ characteristics that enable them to overcome the demands, for example through cognitive abilities, motivational constructs or self-beliefs. In this paper, we take a different perspective and suggest to include a construct that has not been considered in university mathematics education so far: mathematical resilience. Mathematical resilience is a well-established construct in school education to describe students’ attitude in handling everyday educational challenges like setbacks or frustration. We aim to transfer the construct to university mathematics education. Based on a literature review, we argue that the weekly mathematics assignments (i.e., compulsory exercises) pose a major emotional challenge for freshmen as they require advanced mathematical skills like proving, which students only scarcely learn at school. Failing at those mathematics exercises can lead to lasting frustration and, eventually, dropout. Mathematical resilience may thus be a relevant construct to consider when investigating dropout. We present a novel instrument measuring mathematical resilience against mathematics exercises. Findings of an empirical study with 424 mathematics freshmen confirm that mathematics assignments are in fact viewed as the most frustrating everyday challenge. Moreover, the data provide evidence on the validity and reliability of the novel instrument. The results show that mathematical resilience and the corresponding instrument contribute to research on academic success and failure of mathematics freshmen considering the specific conditions of university mathematics studies.
IRIS: A method for predicting in vivo RNA secondary structures using PARIS data
Authors: Zhou Jianyu , Li Pan , Zeng Wanwen , Ma Wenxiu , Lu Zhipeng , Jiang Rui , Cliff Zhang Qiangfeng , Jiang Tao
Published: November 2020

Background

RNA secondary structures play a pivotal role in posttranscriptional regulation and the functions of non‐coding RNAs, yet in vivo RNA secondary structures remain enigmatic. PARIS (Psoralen Analysis of RNA Interactions and Structures) is a recently developed high‐throughput sequencing‐based approach that enables direct capture of RNA duplex structures in vivo. However, the existence of incompatible, fuzzy pairing information obstructs the integration of PARIS data with the existing tools for reconstructing RNA secondary structure models at the single‐base resolution.

Methods

We introduce IRIS, a method for predicting RNA secondary structure ensembles based on PARIS data. IRIS generates a large set of candidate RNA secondary structure models under the guidance of redistributed PARIS reads and then uses a Bayesian model to identify the optimal ensemble, according to both thermodynamic principles and PARIS data.

Results

The predicted RNA structure ensembles by IRIS have been verified based on evolutionary conservation information and consistency with other experimental RNA structural data. IRIS is implemented in Python and freely available at http://iris.zhanglab.net.

Conclusion

IRIS capitalizes upon PARIS data to improve the prediction of in vivo RNA secondary structure ensembles. We expect that IRIS will enhance the application of the PARIS technology and shed more insight on in vivo RNA secondary structures.
Modestly degraded microarchitecture and high serum levels of osteopontin in Swedish females with anorexia nervosa
Authors: Wanby Pär , Brudin Lars , Von Siv-Ping , Carlsson Martin
Published: November 2020

Purpose

Adult women with long-time anorexia nervosa (AN) are believed to have osteopenia (T-score ≤ 1.0) in 93 % and osteoporosis (T-score ≤ 2.5) in 38 %. Bone microarchitecture assessed by Trabecular Bone Score (TBS) predicts osteoporotic fractures. Our aim was to evaluate the microarchitecture in adult females with AN by determining TBS and to identify factors potentially associated with TBS, such as bone turnover markers.

Methods

20 female patients with AN (DSM IV), aged 27.8 ± 4.4 years, BMI 16.6 ± 0.6 kg/m2 and duration of illness of 8.5 ± 5 years had previously been evaluated with dual-energy X-ray absorptiometry (DXA). TBS measurements were now obtained, using iNsight software, from spinal DXA images. Serum levels of bone turnover markers were determined in patients and healthy normal-weight controls.

Results

Compared to controls serum values of osteopontin were higher (p = 0.009). BMD in patients with AN was reduced by at least 1.0 SD at one or more skeletal sites in 65 % of patients and by at least 2.5 SD in 20 %. Only one of the patients (5%) had suffered a fracture. TBS (mean 1.35 ± 0.06; median 1.36 (1.23–1.44) was in the lower normal range (≥ 1.35). 40 % of patients showed partially (> 1.20 and < 1.35) but none showed a fully degraded micro-architecture.

Conclusions

In Swedish AN patients we found a low reduction of BMD and fracture history. The bone microarchitecture, evaluated for the first time for this group by TBS, was only modestly compromised, and to a lesser extent than expected for this group of patients with AN.

Level of evidence

Level V; cross-sectional descriptive study.