bluuebunny/crossref_metadata_2025 huggingface dataset:
Benchtop NMR for Online Reaction Monitoring of the Biocatalytic Synthesis of Aromatic Amino Alcohols
Authors: Claaßen C. , Mack K. , Rother D.
Published: December 2019

Online analytics provides insights into the progress of an ongoing reaction without the need for extensive sampling and offline analysis. In this study, we investigated benchtop NMR as an online reaction monitoring tool for complex enzyme cascade reactions. Online NMR was used to monitor a two‐step cascade beginning with an aromatic aldehyde and leading to an aromatic amino alcohol as the final product, applying two different enzymes and a variety of co‐substrates and intermediates. Benchtop NMR enabled the concentration of the reaction components to be detected in buffered systems in the single‐digit mM range without using deuterated solvent. The concentrations determined via NMR were correlated with offline samples analyzed via uHPLC and displayed a good correlation between the two methods. In summary, benchtop NMR proved to be a sensitive, selective and reliable method for online reaction monitoring in (multi‐step) biosynthesis. In future, online analytic systems such as the benchtop NMR devices described might not only enable direct monitoring of the reaction, but may also form the basis for self‐regulation in biocatalytic reactions.
Applications of Alkali Metal Hydroxide Hydrofluxes to the Synthesis of Single‐Crystal Ternary Actinide Oxides
Authors: Thomas Evan L. , Stegman Samantha , Skanthakumar Suntharalingam , Wilson Richard E.
Published: December 2019

Hydrofluxes are hydrated salts with melting points well below that of the dehydrated salt and boiling points well above that of water, affording a reaction medium, in which mild temperatures and pressures can be accessed for the synthesis of materials. Herein, the use of alkali metal hydroxide hydrofluxes for the synthesis of single crystal α‐Na2NpO4 is described, and the single crystal X‐ray structure of α‐Na2NpO4, along with its X‐ray absorption spectra and vibrational spectra, is reported. The ability to synthesize complex oxides of the actinides, in particular, transuranium materials, under mild conditions will serve to advance our ability to explore the structure–property relationships of the f elements.
Acrolein and Copper as Competitive Effectors of α‐Synuclein
Authors: Falcone Enrico , Ahmed Ikhlas M. M. , Oliveri Valentina , Bellia Francesco , Vileno Bertrand , El Khoury Youssef , Hellwig Petra , Faller Peter , Vecchio Graziella
Published: December 2019

Mounting evidence supports the role of amyloidogenesis, oxidative stress, and metal dyshomeostasis in the development of neurodegenerative disorders. Parkinson's Disease is characterized by α‐synuclein (αSyn) accumulation and aggregation in brain regions, also promoted by Cu2+. αSyn is modified by reactive carbonyl species, including acrolein (ACR). Notwithstanding these findings, the interplay between ACR, copper, and αSyn has never been investigated. Therefore, we explored more thoroughly the effects of ACR on αSyn using an approach based on LC‐MS/MS analysis. We also evaluated the influence of Cu2+ on the protein carbonylation and how the ACR modification impacts the Cu2+ binding and the production of Reactive Oxygen Species (ROS). Finally, we investigated the effects of ACR and Cu2+ ions on the αSyn aggregation by dynamic light scattering and fluorescence assays. Cu2+ regioselectively inhibits the modification of His50 by ACR, the carbonylation lowers the affinity of His50 for Cu2+ and ACR inhibits αSyn aggregation both in the presence and in the absence of Cu2+.
Prostate cancer incidence across stage, NCCN risk groups, and age before and after USPSTF Grade D recommendations against prostate‐specific antigen screening in 2012
Authors: Butler Santino S. , Muralidhar Vinayak , Zhao Shuang G. , Sanford Nina N. , Franco Idalid , Fullerton Zoe H. , Chavez Janice , D’Amico Anthony V. , Feng Felix Y. , Rebbeck Timothy R. , Nguyen Paul L. , Mahal Brandon A.
Published: December 2019

Background

We sought to determine the extent to which US Preventive Services Task Force (USPSTF) 2012 Grade D recommendations against prostate‐specific antigen screening may have impacted recent prostate cancer disease incidence patterns in the United States across stage, National Comprehensive Cancer Network (NCCN) risk groups, and age groups.

Methods

SEER*Stat version 8.3.4 was used to calculate annual prostate cancer incidence rates from 2010 to 2015 for men aged ≥50 years according to American Joint Committee on Cancer stage at diagnosis (localized vs metastatic), NCCN risk group (low vs unfavorable [intermediate or high‐risk]), and age group (50‐74 years vs ≥75 years). Age‐adjusted incidences per 100,000 persons with corresponding year‐by‐year incidence ratios (IRs) were calculated using the 2000 US Census population.

Results

From 2010 to 2015, the incidence (per 100,000 persons) of localized prostate cancer decreased from 195.4 to 131.9 (Ptrend < .001) and from 189.0 to 123.4 (Ptrend < .001) among men aged 50‐74 and ≥75 years, respectively. The largest relative year‐by‐year decline occurred between 2011 and 2012 in NCCN low‐risk disease (IR, 0.77 [0.75–0.79, P < .0001] and IR 0.68 [0.62–0.74, P < .0001] for men aged 50‐74 and ≥75 years, respectively). From 2010‐2015, the incidence of metastatic disease increased from 6.2 to 7.1 (Ptrend < .001) and from 16.8 to 22.6 (Ptrend < .001) among men aged 50‐74 and ≥75 years, respectively.

Conclusions

This report illustrates recent prostate cancer “reverse migration” away from indolent disease and toward more aggressive disease beginning in 2012. The incidence of localized disease declined across age groups from 2012 to 2015, with the greatest relative declines occurring in low‐risk disease. Additionally, the incidence of distant metastatic disease increased gradually throughout the study period.
An interval support vector domain description based on the dynamic decreasing inertia weight particle swarm optimization
Authors: Guo Chengjun , Chen Yongqi
Published: December 2019

For the fault diagnosis of the interval rotor crack fault samples, this paper proposes an interval support vector domain description method through using the dynamic decreasing inertia weight particle swarm optimization (DDIWPSO). Firstly, the interval Gauss function is constructed by using the interval midpoint and interval radius. Applying the interval Gauss kernel function as the kernel, the interval support vector domain description is proposed and can realize the classification of interval samples. Secondly, the DDIWPSO is applied to select the optimal penalty parameter C, the Gauss interval kernel width parameter σ, and the factor λ of the proposed method. Finally, interval University of California Irvine (UCI) samples and the interval rotor crack data are used to verify the advantages of this method. The experimental verification shows that the interval support vector domain description method has the higher accuracy compared with the traditional interval fault classification methods because this method owns the empirical risk minimization of SVM and the optimal parameters selection based on the DDIWPSO.
Structure and Electron Transport at Metal Atomic Junctions Doped with Dichloroethylene
Authors: Fukuzumi Risa , Kaneko Satoshi , Fujii Shintaro , Nishino Tomoaki , Kiguchi Manabu
Published: December 2019

We have investigated the structure and electron transport at dichloroethylene‐doped metal atomic junctions at low temperatures (20 K) in ultra‐high vacuum, using Fe, Ni, Pd, Cu, Ag, and Au. The metal atomic junctions were fabricated using the mechanically controllable break junction technique. After introducing the dichloroethylene (DCE), the conductance behavior of Fe, Ni, and Pd junctions was considerably changed, whereas little change was observed for Cu, Ag, and Au. For the Pd and Cu junctions, a clear peak was observed in their conductance histograms, showing that the single‐molecule junction was selectively formed. To investigate the structure of the metal atomic junctions further, their plateau lengths were analyzed. The length analysis revealed that the Au atomic wire was elongated, and the metal atomic wires were formed for the other transition metals: those that do not normally form metal atomic wires without DCE doping, as DCE adsorption stabilized the metal atomic states. There is a strong interaction between DCE and the metals, where DCE supports the formation of the metal atomic wire for Fe, Ni, and Pd.
Electrocatalytic Oxidative Transformation of Organic Acids for Carbon–Heteroatom and Sulfur–Heteroatom Bond Formation
Authors: Li Man , Hong Junting , Xiao Wei , Yang Yang , Qiu Di , Mo Fanyang
Published: December 2019

The electrolysis of organic acids has garnered increasing attention in recent years. In addition to the famous electrochemical decarboxylation known as Kolbe electrolysis, a number of other electrochemical processes have been recently established that allow for the construction of carbon–heteroatom and sulfur–heteroatom bonds from organic acids. Herein, recent advances in electrochemical C−X and S−X (X=N, O, S, Se) bond‐forming reactions from five classes of organic acids and their conjugate bases, namely, carboxylic, thiocarboxylic, phosphonic, sulfinic, and sulfonic acids, are surveyed.
Engineering Active Fe Sites on Nickel–Iron Layered Double Hydroxide through Component Segregation for Oxygen Evolution Reaction
Authors: Peng Chunlei , Ran Nian , Wan Gang , Zhao Wanpeng , Kuang Zhaoyu , Lu Zheng , Sun Chengjun , Liu Jianjun , Wang Lianzhou , Chen Hangrong
Published: December 2019

Nickel–iron layered double hydroxide (NiFe LDH) is a promising oxygen evolution reaction (OER) electrocatalyst under alkaline conditions. Much research has been performed to understand the structure–activity relationship of NiFe LDH under OER conditions. However, the specific role of the Fe species remains unclear and under debate. Herein, based on DFT calculations, it was discovered that the edge Fe sites show higher activity towards OER than either the edge Ni sites or lattice sites. Therefore, a facile acid‐etching method was proposed to controllably induce the formation of edge Fe sites in NiFe LDH, and the obtained sample exhibited higher OER activity. X‐ray absorption near edge structure and extended X‐ray absorption fine structure analyses further revealed that the interaction of the edge Fe species with Ni is believed to contribute to the enhancement of the OER performance. This work provides a new understanding of the structure–activity relationship in NiFe LDH and offers a facile method for the design of efficient electrocatalysts in an alkaline environment.
Energy forecasting using multiheaded convolutional neural networks in efficient renewable energy resources equipped with energy storage system
Authors: Aurangzeb Khursheed , Aslam Sheraz , Haider Syed Irtaza , Mohsin Syed Muhammad , Islam Saif ul , Khattak Hasan Ali , Shah Sajid
Published: December 2019

Renewable energy resources (RERs) motivate electricity users to reduce their energy bills by taking benefit of self‐generated green energy. Different studies have already pointed out that, because of the absence of proper technical support and awareness, the energy users were not able to sufficiently take paybacks from the RERs. However, with the commencement of smart grids, the potential benefits of RERs and dynamic pricing schemes can be exploited. Nonetheless, the big issue is the accurate prediction of energy produced by intermittent RERs. In this work, we have proposed an efficient framework by integrating energy storage system (ESS) and RERs with smart homes. This framework has shown significant results, which make it helpful and suitable for energy management at a community level. We applied a multiheaded convolutional neural network model for precise and accurate prediction of produced energy by RERs. Moreover, we have considered a smart community consisting of 80 homes. Simulation results prove that the proposed framework helps to decrease the energy bill of consumers by 58.32% and 63.02% through integration of RERs without and with ESS, respectively.
Thermal behaviour of laminated bamboo structures under fire conditions
Authors: Pope Ian , Hidalgo Juan P. , Osorio Andres , Maluk Cristián , Torero José L.
Published: December 2019

A series of experiments have been conducted to measure the in‐depth heating of laminated bamboo samples subjected to heat fluxes of 5, 10, 30, and 60 kW/m2, either perpendicular or parallel to the grain. These heat fluxes were chosen to induce different phenomena within the material—from inert heating to moisture evaporation, pyrolysis, oxidation, and flaming—so that the effects of these can be isolated and evaluated separately by simple heat‐transfer models. Moisture migration along the fibres becomes a critical factor when bamboo is heated parallel to the grain, resulting in increased convective heat transfer to deeper parts of the material and an accumulation of moisture in depth that accentuates the endothermic plateau in the temperature profiles around 100°C. Average charring rates for 60 minutes of exposure under 60 kW/m2 were 0.74 and 0.70 mm/min for perpendicular and parallel heating, respectively. The thickness of the heated layer was much larger for parallel heating due to moisture migration, which is less significant perpendicular to the grain. Inert heat diffusion is a good approximation at heat fluxes of 5 and 10 kW/m2, but exothermic oxidation reactions become critical above 400°C and must be included in future models.
A pragmatic method to compare hospital bed provision between countries and regions: Beds in the States of Australia
Authors: Jones Rodney P.
Published: December 2019

A simple method is presented to evaluate bed numbers between countries using a logarithmic relationship between beds per 1000 deaths and deaths per 1000 population, both of which are readily available. The method relies on the importance of the nearness to death effect. This method was tested using data from Australian States. Beds per 1000 deaths varied considerably between States. This variation reduced after adjusting for the ratio of deaths per 1000 population which is a measure of population age structure. After this adjustment, most Australian States roughly approximate to the international average for developed countries while Tasmania was shown to have a chronic bed shortage, as has been recognized for many years. The Northern Territory and the Australian Capital Territory, both of which have the youngest populations, have more beds relative to the other States. The nearness to death effect must be incorporated into capacity planning models in order to give robust estimates of future bed demand and to evaluate differences between countries and health care systems.
Dynamic relationship between corporate board structure and firm performance: Evidence from Malaysia
Authors: Khan Muhammad T. , Al‐Jabri Qadri M. , Saif Naveed
Published: December 2019

Corporate governance is being acknowledged by almost all kinds of business communities and firms as an ultimate driver to improve the firm financial performance. This study examined the association between corporate board structure and corporate financial performance using a dynamic panel model. Principles of corporate governance deliver an explicit board structure for the purpose to facilitate the board members, which helps in making good decisions. The board of directors consists of the CEO, the chairman, the internal directors, and the external non‐executive directors to work for the shareholders. This study undertakes different corporate governance attributes including non‐executive directors, board size, and CEO duality and examines its effect on firm performance. The dynamic panel model is used, and preestimation and postestimation tests were conducted for the validity of the model. This study found a significant effect of board size, CEO duality, and non‐executive directors on firm performance. The findings show that most of the governance variables are endogenous by nature. Results are consistent with agency theory. This study provides the theoretical and empirical evidence and applies a superior model (dynamic panel model) to better explain the association between corporate board structure and corporate firm performance in listed firms.
GATA2 mutations in myeloid malignancies: Two zinc fingers in many pies
Authors: Leubolt Georg , Redondo Monte Enric , Greif Philipp A.
Published: November 2019

The GATA family of transcription factors are zinc finger (ZF) DNA‐binding proteins that regulate transcription during development and cell differentiation. GATA2 plays an essential role in the regulation of hematopoiesis. As a result, mutations in this gene or alterations in its expression level or function have been linked to a variety of human hematologic disorders. In this review, we summarize the findings and developments over the recent years regarding the clinical correlations and functional properties of distinct GATA2 mutations in hematopoietic malignancies, with particular focus on the mutational hotspots in the ZF domains.
Protective Effects of Controlled Mechanical Loading of Bone in C57BL6/J Mice Subject to Disuse
Authors: DeLong Alex , Friedman Michael A , Tucker Scott M , Krause Andrew R , Kunselman Allen , Donahue Henry J , Lewis Gregory S
Published: December 2019

Prolonged reduction in weightbearing causes bone loss. Disuse of bone is associated with recovery from common musculoskeletal injury and trauma, bed rest resulting from various medical conditions, and spaceflight. The hindlimb‐suspension rodent model is popular for simulating unloading and disuse. We hypothesized that controlled mechanical loading of the tibia would protect against bone loss occurring from concurrent disuse. Additionally, we hypothesized that areas of high mechanical peak strains (midshaft) would provide more protection than areas of lower strain (distal shaft). Adult C57BL6/J mice were suspended for 3 weeks, with one limb subjected to tibial compression four times per week. μCT imaging was completed at days 0, 11, and 21, in addition to serum analysis. Significant bone loss caused by hindlimb suspension was detected in trabecular bone by day 11 and worsened by day 21 (p < 0.05). Bone loss was also detected in cortical thickness and area fraction by day 21. However, four short bouts per week of compressive loading protected the loaded limb from much of this bone loss. At day 21, we observed a 50% loss in trabecular bone volume/total volume and a 6% loss in midshaft cortical thickness in unloaded limbs, but only 15% and 2% corresponding losses in contralateral loaded limbs (p = 0.001 and p = 0.02). Many bone geometry parameters of the loaded limbs of suspended animals did not significantly differ from non‐suspended control limbs. Conversely, this protective effect of loading was not detected in cortical bone at the lower‐strained distal shaft. Analysis of bone metabolism markers suggested that the benefits of loading occurred through increased formation instead of decreased resorption. This study uniquely isolates the role of externally applied mechanical loading of the mouse tibia, in the absence of muscle stimulation, in protecting bone from concurrent disuse‐related loss, and demonstrates that limited bouts of loading may be highly effective during prolonged disuse. © 2019 The Authors. JBMR Plus published by Wiley Periodicals, Inc. on behalf of American Society for Bone and Mineral Research.
From clinical specimens to human cancer preclinical models—a journey the NCI‐cell line database—25 years later
Authors: Mulshine James L. , Ujhazy Peter , Antman Melissa , Burgess Christine M. , Kuzmin Igor , Bunn Paul A. , Johnson Bruce E. , Roth Jack A. , Pass Harvey I. , Ross Sheila M. , Aldige Carolyn R. , Wistuba Ignacio I. , Minna John D
Published: December 2019

The intramural the National Cancer Institute (NCI) and more recently the University of Texas Southwestern Medical Center with many different collaborators comprised a complex, multi‐disciplinary team that collaborated to generated large, comprehensively annotated, cell‐line related research resources which includes associated clinical, and molecular characterization data. This material has been shared in an anonymized fashion to accelerate progress in overcoming lung cancer, the leading cause of cancer death across the world. However, this cell line collection also includes a range of other cancers derived from patient‐donated specimens that have been remarkably valuable for other types of cancer and disease research. A comprehensive analysis conducted by the NCI Center for Research Strategy of the 278 cell lines reported in the original Journal of Cellular Biochemistry Supplement, documents that these cell lines and related products have since been used in more than 14 000 grants, and 33 207 published scientific reports. This has resulted in over 1.2 million citations using at least one cell line. Many publications involve the use of more than one cell line, to understand the value of the resource collectively rather than individually; this method has resulted in 2.9 million citations. In addition, these cell lines have been linked to 422 clinical trials and cited by 4700 patents through publications. For lung cancer alone, the cell lines have been used in the research cited in the development of over 70 National Comprehensive Cancer Network clinical guidelines. Finally, it must be underscored again, that patient altruism enabled the availability of this invaluable research resource.
Description of ovary organization and oogenesis in a phreodrilid clitellate
Authors: Świątek Piotr , Pinder Adrian , Gajda Łukasz
Published: November 2019

Phreodrilidae is a small family uniting about 50 species of minute freshwater clitellate annelids inhabiting mainly the Southern hemisphere. Other than the male and spermathecal genitalia, their internal organization is poorly known. Here, we present results of our study of the ovaries and oogenesis in Insulodrilus bifidus, a phreodrilid from Western Australia using light and electron microscopy. The ovaries are paired and located in segment XII. They are inconspicuous and composed of several (10–12) spherical germ‐line cysts loosely interconnected by flattened somatic cells. The cysts usually comprise 32 germ cells and each cell is connected via a cytoplasmic bridge (ring canal) to the central cytoplasmic mass (the cytophore). In ovaries, germ cells in a given cyst develop in full synchrony. However, there is no synchrony among cysts, so there is a developmental gradient of cysts (from oogonial to early meiotic) along the longitudinal ovary axis. Within the cysts that are located in the distal end of the ovary the synchrony is finally lost and interconnected cells diversify into two morphologically distinct categories: an oocyte and 31 nurse cells. Such cysts detach from the ovaries and further development occurs within the body cavity. The oocyte gathers nutrients, mainly in form of yolk spheres, whereas nurse cells grow slightly and do not gather yolk. Organelles such as ribosomes, mitochondria and endoplasmic reticulum pass freely through the ring canals and are present within the cytophore, which suggests cytoplasmic transfer towards the oocyte. The formation of female germ‐line cysts equipped with cytophore and cells differentiated into oocyte and nurse cells matches the general pattern of oogenesis found in clitellates. In details, the ovary organization and oogenesis found in I. bifidus resembles the situation described in some representatives of Naidinae and Enchytraeidae.
Recovery, Purification, and Reusability of Building Blocks for Solid Phase Synthesis
Authors: Shamout Fadi , Fischer Lukas , Snyder Nicole L. , Hartmann Laura
Published: December 2019

Solid phase synthesis (SPS) is well established for the synthesis of biomacromolecules such as peptides, oligonucelotides, and oligosaccharides, and today is also used for the synthesis of synthetic macromolecules and polymers. The key feature of this approach is the stepwise assembly of building blocks on solid support, enabling monodispersity and monomer sequence control. However, in order to achieve such control, a high excess of building blocks is required during the reaction. Herein, the recovery, purification, and reusability of building blocks used in SPS, including representative examples of tailor‐made building blocks, Fmoc‐protected amino acids, and functionalized carbohydrate ligands, are reported for the first time. Results demonstrate the general applicability with recovery in high yields and high purity. Furthermore, the described recovery process can be applied in both manual and automated synthesis using a standard peptide synthesizer. Overall, this process is envisioned to be applicable for a large variety of building blocks used in the SPS of different types of molecules, and to contribute to more resourceful SPS syntheses.
Validation Study of QSAR/DNN Models Using the Competition Datasets
Authors: Kato Yoshiki , Hamada Shinji , Goto Hitoshi
Published: December 2019

Since the QSAR/DNN model showed predominant predictive performance over other conventional methods in the Kaggle QSAR competition, many artificial neural network (ANN) methods have been applied to drug and material discovery. Appearance of artificial intelligence (AI), which is combined various general purpose ANN platforms with large‐scale open access chemical databases, has attracting great interest and expectation in a wide range of molecular sciences. In this study, we investigate various DNN settings in order to reach a high‐level of predictive performance comparable to the champion team of the competition, even with a general purpose ANN platform, and introduce the Meister setting for constructing a good QSAR/DNNs model. Here, we have used the most commonly available DNN model and constructed many QSAR/DNN models trained with various DNN settings by using the 15 datasets employed in the competition. As a result, it was confirmed that we can constructed the QSAR/DNN model that shows the same level of R2 performance as the champion team. The difference from the DNN setting recommended by the champion team was to reduce the mini‐batch size. We have also explained that the R2 performance of each target depends on the molecular activity type, which is related to the complexity of biological mechanisms and chemical processes observed in molecular activity measurements.
Neighborhood Walkability and BMI Change: A National Study of Veterans in Large Urban Areas
Authors: Tarlov Elizabeth , Silva Abigail , Wing Coady , Slater Sandy , Matthews Stephen A. , Jones Kelly K. , Zenk Shannon N.
Published: December 2019

Objective

Improving neighborhood walkability has been proposed as a policy intervention to reduce obesity. The objective of this study was to evaluate longitudinal relationships between neighborhood walkability and body weight among adults living in large urban areas.

Methods

In this retrospective longitudinal study of United States military veterans using Department of Veterans Affairs health care, Veterans Affairs clinical and administrative data (2007‐2014) were linked to environmental measures constructed from public (2006‐2014) and proprietary (2008‐2014) sources, and linear regression models with person fixed effects were used to estimate associations between walkability and BMI among 758,434 men and 70,319 women aged 20 to 80 years in 2009 to 2014.

Results

Neighborhood walkability was associated with small reductions in BMI. Effects were most pronounced among men aged 30 to 49 and 50 to 64. For women, differences were largest in the two youngest age groups, 20 to 29 and 30 to 49, though only estimates for all women combined were statistically significant. For women aged 30 to 49, effect sizes grew when the sample was limited to those who remained in the same neighborhood during the entire follow‐up period.

Conclusions

Investments in the built environment to improve walkability may be a useful strategy for weight control in some segments of the adult population.
Changes in Proteomic Profiles are Related to Changes in BMI and Fat Distribution During 10 Years of Aging
Authors: Lind Lars , Figarska Sylwia , Sundström Johan , Fall Tove , Ärnlöv Johan , Ingelsson Erik
Published: December 2019

Objective

This study investigated how changes in 84 proteins over a 10‐year period of aging were related to changes in measures of body fat and distribution over the same period.

Methods

Cardiovascular candidate proteins were measured using the proximal extension assay technique, along with BMI and waist‐hip ratio (WHR), at ages 70, 75, and 80 in 1,016 participants of the Prospective Investigation of the Vasculature in Uppsala Seniors (PIVUS) cohort. Associations of changes in plasma protein levels, BMI, and WHR over time were analyzed using linear mixed models.

Results

Changes in 19 and 16 proteins were significantly associated with changes in BMI and WHR, respectively (P < 0.00059), over the investigated 10‐year period. Leptin and fatty acid‐binding protein 4 were among the proteins most strongly associated with changes in both BMI and WHR. Four of the proteins significantly tracked with change in BMI (P < 0.00059) but not WHR (P > 0.05): endothelial cell‐specific molecule 1, pentraxin‐related protein PTX3, ST2 protein (also known as interleukin‐1 receptor‐like 1), and spondin‐1. Five proteins tracked with change in WHR (P < 0.00059) but not BMI (P > 0.05): caspase‐8, cathepsin L1, oxidized low‐density lipoprotein receptor 1, interleukin‐6 receptor subunit alpha, and C‐C motif chemokine 20.

Conclusions

This is the first large longitudinal study of how changes in plasma protein signatures are associated with changes in measures of body fat and distribution over 10 years of aging.
Carbon‐Bridged g‐C3N4 Nanosheets for High Hydrogen Evolution Rate by a Two‐Step Gaseous Treatment
Authors: Xu Guangqing , Wang Zhiwei , Liu Qing , Lv Jun , Huang Jun , Shu Xia , Wang Jianmin , Wu Yucheng
Published: December 2019

Carbon nitride (g‐C3N4) possesses a bright prospect in transforming solar power into chemical energy by photocatalytic hydrogen production. However, low specific surface area and rapid charges recombination of bulk g‐C3N4 obtained by direct thermal polymerization restrict its photocatalytic water splitting efficiency. Herein, carbon‐bridged g‐C3N4 hybrid nanosheets were synthesized by a two‐step gaseous treatment composed of gaseous stripping in wet N2 ambience and carbon deposition in ethanol ambience. The obtained hybrids possess high optical absorption and low recombination rate at the same time. Furthermore, the deposited carbon acts as the “bridge” between g‐C3N4 and co‐catalyst Pt, which facilitates the electron transfer. With 3 wt% Pt as co‐catalyst, the optimized C/g‐C3N4 (5) hybrid nanosheets achieve the highest hydrogen evolution rate of 8536 μmol⋅h−1⋅g−1, which is 11 times that of bulk g‐C3N4.
Hybrids of Isatin‐Pyrazole as Potential α‐Glucosidase Inhibitors: Synthesis, Biological Evaluations and Molecular Docking Studies
Authors: Kaur Ramandeep , Palta Kezia , Kumar Manoj
Published: December 2019

α‐Glucosidase inhibition has been considered as an effective strategy for controlling the post‐prandial hyperglycemia in diabetic patients. A series of novel isatin‐pyrazole hybrids has been rationally designed, synthesized and characterized by different spectroscopic techniques. All of the synthesized compounds were evaluated for their α‐glucosidase inhibitory potential using in vitro enzymatic assay. The tested compounds have exhibited potent α‐glucosidase inhibition with IC50 values ranging from 3.26±0.25 to 32.33±1.08 μM. Compound V7, having 3‐nitro phenyl ring appended at pyrazole nucleus, has emerged as the most potent inhibitor among the series with an IC50 value of 3.26±0.25 μM, which was approximately 146 fold more potent than the clinically used drug acarbose (IC50=478.07±1.53 μM). Molecular docking studies were carried out to investigate the binding interactions of most active compounds with the active site of the enzyme. Further, in silico predictive pharmacokinetic parameters (ADME) and drug‐like properties of the compounds were within the acceptable ranges. In vivo biological evaluations further supplemented the in vitro results.
Preparation and Characterization of Superfine CL‐20/EPDM Composite Microspheres
Authors: Li Yunqiu , Li Bin , Xie Lifeng
Published: December 2019

To improve the safety properties of 2,4,6,8,10,12‐hexanitro‐2,4,6,8,10,12‐hexaazaisowurtzitane (CL‐20), the composite particle of CL‐20/EPDM energetic particles were prepared by an electrostatic spray method. The surface morphology of the composite was analyzed by scanning electron microscopy (SEM). The crystal structure of the composite was characterized by Fourier transform infrared spectroscopy (FTIR) and X‐ray diffraction (XRD). The thermal decomposition properties of the composite were also analyzed by differential scanning calorimetry (DSC). The safety properties were judged by mechanical sensitivity test. The SEM results revealed that the prepared composite was homogeneous with mean granularity of 1 μm and the morphology was distinct from raw CL‐20 and EPDM, which is nearly spherical. The FTIR and XRD analysis indicated that the new crystalline formation appeared in the composite. The crystal form of CL‐20 changed from ϵ to α. At 8 K⋅min−1, the peak temperature decreased 248.9 °C to 237.8 °C, and the apparent activation energy decreased from 255.1 kJ⋅mol−1 to 241.3 kJ⋅mol−1, which was only 13.8 kJ⋅mol−1 lower than CL‐20, indicating that the thermal stability of the composite microspheres was close to that of raw CL‐20. The decrease of critical temperature of thermal explosion from 228.4 °C to 223.4 °C indicates the improvement of thermal sensitivity. The impact sensitivity and friction sensitivity of CL‐20/EPDM composite were reduced compared to raw CL‐20. The value of H50 of the composite is 20 cm, which increased by 6.4 cm compared with raw CL‐20. And the explosion probability of the composite is reduced to 80%, compared with 100% of the raw CL‐20, indicating the better safety properties.
Simulating Diffusion Properties of Solid‐State Electrolytes via a Neural Network Potential: Performance and Training Scheme
Authors: Marcolongo Aris , Binninger Tobias , Zipoli Federico , Laino Teodoro
Published: December 2019

The recently published DeePMD model, based on a deep neural network architecture, brings the hope of solving the time‐scale issue which often prevents the application of first principle molecular dynamics to physical systems. With this contribution we assess the performance of the DeePMD potential on a real‐life application and model diffusion of ions in solid‐state electrolytes. We consider as test cases the well known Li10GeP2S12, Li7La3Zr2O12 and Na3Zr2Si2PO12. We develop and test a training protocol suitable for the computation of diffusion coefficients, which is one of the key properties to be optimized for battery applications, and we find good agreement with previous computations. Our results show that the DeePMD model may be a successful component of a framework to identify novel solid‐state electrolytes.
Stem cell-derived kidney organoids: engineering the vasculature
Authors: Koning Marije , van den Berg Cathelijne W. , Rabelink Ton J.
Published: December 2019

Kidney organoids can be generated from human pluripotent stem cells (PSCs) using protocols that resemble the embryonic development of the kidney. The renal structures thus generated offer great potential for disease modeling, drug screening, and possibly future therapeutic application. At the same time, use of these PSC-derived organoids is hampered by lack of maturation and off-target differentiation. Here, we review the main protocols for the generation of kidney organoids from human-induced PSCs, discussing their advantages and limitations. In particular, we will focus on the vascularization of the kidney organoids, which appears to be one of the critical factors to achieve maturation and functionality of the organoids.
On the Parity Under Metapletic Operators and an Extension of a Result of Lyubarskii and Nes
Authors: Faulhuber Markus
Published: December 2019

In this work we show that if the frame property of a Gabor frame with window in Feichtinger’s algebra and a fixed lattice only depends on the parity of the window, then the lattice can be replaced by any other lattice of the same density without losing the frame property. As a byproduct we derive a generalization of a result of Lyubarskii and Nes, who could show that any Gabor system consisting of an odd window function from Feichtinger’s algebra and any separable lattice of density$$\tfrac{n+1}{n}$$n+1n,$$n \in \mathbb {N}_+$$n∈N+, cannot be a Gabor frame for the Hilbert space of square-integrable functions on the real line. We extend this result by removing the assumption that the lattice has to be separable. This is achieved by exploiting the interplay between the symplectic and the metaplectic group.
Predicting renal disease progression in a large contemporary cohort with type 1 diabetes mellitus
Authors:   on behalf of the Scottish Diabetes Research Network (SDRN) Type 1 Bioresource Investigators and the Scottish Renal Registry, Colombo Marco , McGurnaghan Stuart J. , Bell Samira , MacKenzie Finlay , Patrick Alan W. , Petrie John R. , McKnight John A. , MacRury Sandra , Traynor Jamie , Metcalfe Wendy , McKeigue Paul M. , Colhoun Helen M.
Published: December 2019

Aims/hypothesis

The aim of this study was to provide data from a contemporary population-representative cohort on rates and predictors of renal decline in type 1 diabetes.

Methods

We used data from a cohort of 5777 people with type 1 diabetes aged 16 and older, diagnosed before the age of 50, and representative of the adult population with type 1 diabetes in Scotland (Scottish Diabetes Research Network Type 1 Bioresource; SDRNT1BIO). We measured serum creatinine and urinary albumin/creatinine ratio (ACR) at recruitment and linked the data to the national electronic healthcare records.

Results

Median age was 44.1 years and diabetes duration 20.9 years. The prevalence of CKD stages G1, G2, G3 and G4 and end-stage renal disease (ESRD) was 64.0%, 29.3%, 5.4%, 0.6%, 0.7%, respectively. Micro/macroalbuminuria prevalence was 8.6% and 3.0%, respectively. The incidence rate of ESRD was 2.5 (95% CI 1.9, 3.2) per 1000 person-years. The majority (59%) of those with chronic kidney disease stages G3–G5 did not have albuminuria on the day of recruitment or previously. Over 11.6 years of observation, the median annual decline in eGFR was modest at −1.3 ml min−1[1.73 m]−2 year−1(interquartile range [IQR]: −2.2, −0.4). However, 14% experienced a more significant loss of at least 3 ml min−1[1.73 m]−2. These decliners had more cardiovascular disease (OR 1.9,p = 5 × 10−5) and retinopathy (OR 1.3p = 0.02). Adding HbA1c, prior cardiovascular disease, recent mean eGFR and prior trajectory of eGFR to a model with age, sex, diabetes duration, current eGFR and ACR maximised the prediction of final eGFR (r2increment from 0.698 to 0.745,p < 10−16). Attempting to model nonlinearity in eGFR decline or to detect latent classes of decliners did not improve prediction.

Conclusions

These data show much lower levels of kidney disease than historical estimates. However, early identification of those destined to experience significant decline in eGFR remains challenging.
Linear Yang–Mills Theory as a Homotopy AQFT
Authors: Benini Marco , Bruinsma Simen , Schenkel Alexander
Published: December 2019

It is observed that the shifted Poisson structure (antibracket) on the solution complex of Klein–Gordon and linear Yang–Mills theory on globally hyperbolic Lorentzian manifolds admits retarded/advanced trivializations (analogs of retarded/advanced Green’s operators). Quantization of the associated unshifted Poisson structure determines a unique (up to equivalence) homotopy algebraic quantum field theory (AQFT), i.e. a functor that assigns differential graded $$*$$

∗

-algebras of observables and fulfills homotopical analogs of the AQFT axioms. For Klein–Gordon theory the construction is equivalent to the standard one, while for linear Yang–Mills it is richer and reproduces the BRST/BV field content (gauge fields, ghosts and antifields).
Performance heuristics for GR(1) synthesis and related algorithms
Authors: Firman Elizabeth , Maoz Shahar , Ringert Jan Oliver
Published: December 2019

Reactive synthesis for the GR(1) fragment of LTL has been implemented and studied in many works. In this work we present and evaluate a list of heuristics to potentially reduce running times for GR(1) synthesis and related algorithms. The list includes several heuristics for controlled predecessor computation and BDDs, early detection of fixed-points and unrealizability, fixed-point recycling, and several heuristics for unrealizable core computations. We have implemented the heuristics and integrated them in our synthesis environment Spectra Tools, a set of tools for writing specifications and running synthesis and related analyses. We evaluate the presented heuristics on SYNTECH15, a total of 78 specifications of 6 autonomous Lego robots, on SYNTECH17, a total of 149 specifications of 5 autonomous Lego robots, all written by 3rd year undergraduate computer science students in two project classes we have taught, as well as on benchmarks from the literature. The evaluation investigates not only the potential of the suggested heuristics to improve computation times, but also the difference between existing benchmarks and the robot’s specifications in terms of the effectiveness of the heuristics. Our evaluation shows positive results for the application of all the heuristics together, which get more significant for specifications with slower original running times. It also shows differences in effectiveness when applied to different sets of specifications. Furthermore, a comparison between Spectra, with all the presented heuristics, and two existing tools, RATSY and Slugs, over two well-known benchmarks, shows that Spectra outperforms both on most of the specifications; the larger the specification, the faster Spectra becomes relative to the two other tools.
Early presentation of urinary retention in multiple system atrophy: can the disease begin in the sacral spinal cord?
Authors: Panicker Jalesh N. , Simeoni Sara , Miki Yasuo , Batla Amit , Iodice Valeria , Holton Janice L. , Sakakibara Ryuji , Warner Thomas T.
Published: December 2019

Lower urinary tract (LUT) dysfunction presents early in multiple system atrophy (MSA), usually initially as urinary urgency, frequency and incontinence, and voiding difficulties/urinary retention becomes apparent over time. We have observed a subset of patients who instead presented initially with urinary retention requiring catheterisation. At presentation, these patients had only subtle neurological signs that would not fulfil the diagnostic criteria of MSA; however, the anal sphincter electromyography (EMG) was abnormal and they reported bowel and sexual dysfunction, suggesting localisation at the level of the sacral spinal cord. They subsequently developed classical neurological signs, meeting the diagnostic criteria for probable MSA. One patient was confirmed to have MSA at autopsy. We postulate that in a subset of patients with MSA, the disease begins in the sacral spinal cord and then spreads to other regions resulting in the classical signs of MSA. The transmissibility of alpha-synuclein has been demonstrated in animal models and the spread of pathology from sacral cord to other regions of the central nervous system is therefore plausible. Patients presenting with urinary retention and mild neurological features would be an ideal group for experimental trials evaluating neuroprotection in MSA
Ist unerfüllter Kinderwunsch ein Leiden? – Der Leidensbegriff im Kontext der Kinderwunschtherapie
Authors: Westermann Anna Maria , Alkatout Ibrahim
Published: December 2019

Der Begriff Leiden ist in der Medizin und in der Bioethik bisher kaum reflektiert und dahingehend in normativer Hinsicht wenig bestimmt. Dennoch bildet das Leiden an einer Unfruchtbarkeit den Ausgangspunkt für die medizintechnischen Interventionen der assistierten reproduktionsmedizinischen Behandlung. Dabei wird implizit angenommen, dass der unerfüllte Kinderwunsch ein Leiden ist. Ob der unerfüllte Kinderwunsch allerdings ein Leiden darstellt, ist bisher nicht eindeutig geklärt worden.

Ziel dieses Beitrages ist es, die Annahme, dass es sich beim unerfüllten Kinderwunsch um ein Leiden handelt, zu überprüfen. Anhand der Darstellung einiger gängiger Leidenskonzeptionen werden Merkmale von Leiden herausgearbeitet, die als treffende Grundannahmen für eine Leidensbestimmung gelten können. Es wird sich zeigen, dass der unerfüllte Kinderwunsch, entsprechend der Leidenskonzeptionen, als ein Leiden angesehen werden sollte, und ihm somit ein normativer Stellenwert zukommt. In einem weiteren Schritt ist zu klären, ob das Leiden an einem unerfüllten Kinderwunsch als ein Rechtfertigungsgrund für reproduktionsmedizinische Interventionen gelten kann. Dafür wird zum einen der Stellenwert von Leiden, als eine anthropologische Grundbedingung, im Zusammenhang mit dem Leidenslinderungsauftrag der Medizin diskutiert. Zum anderen werden die Risiken der reproduktionsmedizinischen Therapien sowie deren Bedeutung als Gesundheitsressourcen erörtert. Dabei wird deutlich, dass Leiden an einem unerfüllten Kinderwunsch immer ein psychosomatischer Komplex ist. Nur unter Berücksichtigung der psychoexistenziellen Dimension des Leidens ergibt sich eine Legitimation für eine angemessene somatische Intervention.
Lights Off, Spot On: Carbon Literacy Training Crossing Boundaries in the Television Industry
Authors: Chapple Wendy , Molthan-Hill Petra , Welton Rachel , Hewitt Michael
Published: December 2019

Proclaimed the “greenest television programme in the world,” the award-winning soap opera Coronation Street is seen as an industry success story. This paper explores how the integration of carbon literacy training (CLT) led to a widespread transformational change of practice within Coronation Street. Using the theoretical lens of Communities of Practice (CoP), this study examines the nature of social learning and the enablers and barriers to change within the organization. Specifically, how boundary spanning practices, objects and people led to the transformation on both a personal and group level. Based on a qualitative analysis of 22 interviews with Heads of Departments and other staff, the paper argues that CLT is a boundary practice which has evolved into a boundary spanning CoP. The importance of infrastructures supporting boundary objects and practices is highlighted as reinforcers of the CLT, both as a boundary object and a community, with the “ultimate” boundary spanning object being the show. A significant enabler in social learning and change in practice is the creation of discursive and creative space, both within CoP and across the boundaries. Findings also highlight the role of “self” in the process of social learning and organizational change. Distinct patterns emerged in the relationship between self-identity, social learning and change across a range of boundary objects, practices and communities both in the CLT and CoP. This suggests that in a diverse social learning setting such as CLT there are different transformational catalysts within the CoP and these identities can influence how knowledge is translated into practice.
Ba-Ni-Hexaaluminate as a New Catalyst in the Steam Reforming of 1-Methyl Naphthalene and Methane
Authors: Parsland Charlotte , Ho Phuoc Hoang , Benito Patricia , Larsson Ann-Charlotte , Fornasari Giuseppe , Brandin Jan
Published: December 2019

This work investigates the long-term performance of Ba-Ni-hexaaluminate, BaNixAl12−xO19as a catalyst in reforming of 1-methyl naphthalene and/or methane in a model-gas simulating that from a circulating fluidized bed (CFB) gasifier during 23–29 h in a lab scale set-up, as well as the tendency for coke formation, sintering and sulphur poisoning. 1-Methyl naphthalene is used as a tar model substance. The Ba-Ni-hexaaluminate induces a high conversion of both compounds in the temperatures investigated (850 and 950 °C) under sulphur-free conditions. In sulphur-containing gas, the methane conversion stops at 20 ppm H2S and the reforming of 1-MNP at 850 °C is slightly reduced at 100 ppm.

Graphic Abstract