bluuebunny/crossref_metadata_2025 huggingface dataset:
In vivogamma‐aminobutyric acid‐A/benzodiazepine receptor availability and genetic liability in asymptomatic individuals with high genetic loading of schizophrenia: A [11C]flumazenil positron emission tomography study
Authors: Lee Junhee , Yoon Youngwoo Bryan , Cho Kang Ik Kevin , Seo Seongho , Lee Jae Sung , Jeong Jae Min , Kim Euitae , Kim Minah , Lee Tae Young , Kwon Jun Soo
Published: November 2020

Objectives

Whilst reduced signalling and gene expression related to gamma‐aminobutyric acid (GABA) play a role in the presumed pathophysiology of schizophrenia, its origin is unclear. Studying asymptomatic individuals with high genetic liability to schizophrenia (AIs) would provide insights. Therefore, this study aimed to investigate the role of genetic liability in GABAergic dysfunction of schizophrenia by exploringin vivoGABA‐A/benzodiazepine receptor (GABAR) availability in AIs.

Methods

A total of 10 AIs with multiple relatives diagnosed as schizophrenia and 11 healthy controls underwent [11C]flumazenil positron emission tomography and neurocognitive function tests.

Results

There was no significant difference in [11C]flumazenil availability based on the groups. GABAR availability in caudate nuclei had positive correlations with genetic liability of AIs. GABAR availability in caudate nuclei and verbal memory measures of AIs revealed positive correlations. Only the correlation between right caudate and short‐term verbal memory survived multiple‐comparison correction (p= 0.030).

Conclusions

This study, for the first time, reports correlations between the genetic liability of schizophrenia and GABAR availability. Correlations between [11C]flumazenil binding in caudate of individuals with high genetic liability to schizophrenia suggests that the GABAergic dysfunction may arise from shared genetic factors and also that it may be responsible for cognitive impairment of AIs.
Effect of Japanese herbal Kampo medicines on live birth rate in women with recurrent pregnancy loss
Authors: Shigemi Daisuke , Hashimoto Yohei , Michihata Nobuaki , Yasunaga Hideo
Published: November 2020

Objective

To determine the effectiveness of Japanese Kampo medicines on the overall live birth rate among patients with recurrent pregnancy loss (RPL) in a real‐world setting.

Methods

In the current retrospective cohort study, we used the JMDC Claims Database to extract information on women diagnosed with RPL between January 1, 2005 and August 31, 2018. Eligible women were divided into two groups according to Kampo medicines administered as treatments for RPL. The primary outcome was the live birth rate during the study period. Propensity score matching, Kaplan‐Meier cumulative incidence plots, log‐rank test, and Cox proportional‐hazards regression model were used to compare the primary outcome between patients with and without Japanese herbal Kampo medicines.

Results

Among 5517 eligible patients, 1652 used Kampo medicines and 3865 did not. After propensity score matching, the live birth rate at 2.0 years was 15.7% in the Kampo group and 11.2% in the non‐Kampo group. At 4.0 years, the difference between the two groups had slightly increased. The overall live birth rate differed significantly between the two groups (hazard ratio 1.32, 95% confidence interval 1.13–1.53; P < 0.001).

Conclusion

Japanese herbal Kampo medicines may improve the live birth rate in patients with RPL.
Factors affecting e‐government adoption in Liberia: A practitioner perspective
Authors: Mensah Ransford , Cater‐Steel Aileen , Toleman Mark
Published: November 2020

Globally, e‐government implementation is growing, including in sub‐Saharan Africa, evidenced by the frequently reported benefits of e‐government programs in developed countries. The government of Liberia is pursuing an e‐government agenda to improve governance through the effective and efficient use of technology in the public sector. Liberia, one of the most underdeveloped countries in the world is bedeviled by over 10 years of civil war and most recently an Ebola virus outbreak which created severe human capacity gaps. The government has realized that in order to accelerate development and enhance its peoples' livelihood, it must integrate technology into its public administration procedures. However, the implementation of e‐government in Liberia has had mixed success. The objective of this research is to identify critical factors affecting the implementation of e‐government in Liberia. To achieve this aim, a reflective practitioner approach is employed as a lens to collect and guide the analysis of qualitative data. The data are collected through focus group discussion with senior IT practitioners (CIOs) of Liberia who are leading the delivery of e‐initiatives in Liberia. The factors identified are intended to guide how e‐government initiatives are implemented in Liberia. This research contributes to raising awareness about Liberia's e‐government program.
Co‐option of PPARα in the regulation of lipogenesis and fatty acid oxidation in CLA‐induced hepatic steatosis
Authors: Cai Demin , Li Yanwei , Zhang Kexin , Zhou Bo , Guo Feilong , Holm Lena , Liu Hao‐Yu
Published: November 2020

Nonalcoholic‐fatty‐liver‐disease (NAFLD) is the result of imbalances in hepatic lipid partitioning and is linked to dietary factors. We demonstrate that conjugated linoleic acid (CLA) when given to mice as a dietary supplement, induced an enlarged liver, hepatic steatosis, and increased plasma levels of fatty acid (FA), alanine transaminase, and triglycerides. The progression of NAFLD and insulin resistance was reversed by GW6471 a small‐molecule antagonist of peroxisome proliferator‐activated receptor α (PPARα). Transcriptional profiling of livers revealed that the genes involved in FA oxidation and lipogenesis as two core gene programs controlled by PPARα in response to CLA and GW6471 including Acaca and Acads. Bioinformatic analysis of PPARα ChIP‐seq data set and ChIP‐qPCR showed that GW6471 blocks PPARα binding to Acaca and Acads and abolishes the PPARα‐mediated local histone modifications of H3K27ac and H3K4me1 in CLA‐treated hepatocytes. Thus, our findings reveal a dual role of PPARα in the regulation of lipid homeostasis and highlight its druggable nature in NAFLD.
Normal reference values of left ventricular strain parameters in healthy adults: Real‐life experience from the single‐center three‐dimensional speckle‐tracking echocardiographic MAGYAR‐Healthy Study
Authors: Nemes Attila , Kormányos Árpád , Kalapos Anita , Domsik Péter , Gyenes Nándor , Ambrus Nóra , Lengyel Csaba
Published: November 2020

Introduction

A number of studies defined normal reference values of three‐dimensional (3D) speckle‐tracking echocardiography (3DSTE)‐derived left ventricular (LV) strains. The present study aimed to quantify normal reference values of LV strains in healthy adult population in real clinical world settings in different age groups, and to determine age‐ and gender‐dependence of these variables in a high volume single center.

Methods

The present prospective study included 296 healthy adult subjects. Among them, 124 were excluded due to inferior image quality during the 6‐year recruitment period (2011‐2017). The remaining population was further divided into four subgroups based on age decades.

Results

While global radial (RS) strain showed an increase‐decrease‐increase pattern with age, circumferential, longitudinal, and area strains (CS, LS, AS, respectively) were nonsignificantly lower in older ages. Only global LV‐LS showed gender‐dependency with higher values in females. Although moderately higher RS and 3DS and lower LS, and AS were observed in males, clear gender‐dependency could not be detected in different age decades.

Conclusions

This study provides normal reference values of 3DSTE‐derived global, segmental, mean segmental, and regional LV strains in healthy adult subjects based on real‐life clinical experience. Age‐, gender‐, and functional nonuniformity of LV strains were also defined.
Elucidating the early signaling cues involved in zebrafish chondrogenesis and cartilage morphology
Authors: Zinck Nicholas W. , Jeradi Shirine , Franz‐Odendaal Tamara A.
Published: November 2020

Across the teleost skeleton, cartilages are diverse in their composition suggesting subtle differences in their developmental mechanisms. This study aims to elucidate the regulatory role of bone morphogenetic protein (BMPs) during the morphogenesis of two cartilage elements in zebrafish: the scleral cartilage in the eye and the caudal fin endoskeleton. Zebrafish larvae were exposed to a BMP inhibitor (LDN193189) at a series of timepoints preceding the initial appearance of the scleral cartilage and caudal fin endoskeleton. Morphological assessments of the cartilages in later stages, revealed that BMP‐inhibited fish harbored striking disruptions in caudal fin endoskeletal morphology, regardless of the age at which the inhibitor treatment was performed. In contrast, scleral cartilage morphology was unaffected in all age groups. Morphometric and principal component analysis, performed on the caudal fin endoskeleton, revealed differential clustering of principal components one and two in BMP‐inhibited and control fish. Additionally, the expression of sox9a and sox9b were reduced in BMP‐inhibited fish when compared to controls, indicating that LDN193189 acts via a Sox9‐dependent pathway. Further examination of notochord flexion also revealed a disruptive effect of BMP inhibition on this process. This study provides a detailed characterization of the effects of BMP inhibition via LDN193189 on zebrafish cartilage morphogenesis and development. It highlights the specific, localized role of the BMP‐signaling pathways during the development of different cartilage elements and sheds some light on the morphological characteristics of fossil teleosts that together suggest an uncoupling of the developmental processes between the upper and lower lobes of the caudal fin.
Reconstruction of cold front frequency over Cape Town, South Africa, using daily mean sea level pressure values: 1834–1899
Authors: Picas Jessica A. , Grab Stefan W.
Published: November 2020

Surface pressure observations are invaluable for meteorological investigations as they enable reconstructions of and insights to historical large‐scale tropospheric circulation. This article endeavours to use a daily reduced mean sea level pressure (MSLP) series to reconstruct the monthly frequency of cold fronts, associated with mid‐latitude cyclones, overpassing Cape Town (southwestern Cape region of South Africa) during the 19th century. Using modern (2011–2017) daily MSLP data and synoptic charts, the relationship between MSLP values and the probability of a cold front overpassing, is established and applied to historical (1834–1899) MSLP data. Although no significant trend in cold front frequency is measured, greater interannual variability is noted during the first half of the study period (1837–1867). Results indicate a link between lower (higher) cold front frequencies and El Niño (La Niña) events, although not statistically significant. Additionally, correlations between cold front frequency and the Southern Annular Mode (SAM) appear to be weak. Although not statistically robust, we also note an apparent 1–2 year lagged association between years with above (below) average numbers of sunspots and above (below) average numbers of cold fronts.
Tropospheric thermal field variability over Poland in the context of climate change
Authors: Urban Grzegorz , Kowalewski Michał K. , Kuchar Leszek
Published: November 2020

Based on the results of radiosounding measurements from all Polish aerological stations, an analysis of temperature changes in the troposphere and tropopause over Poland was carried out. The study was performed for data from 1981 to 2018 at 00 UTC for five main isobaric surfaces (MISs): 850, 700, 500, 300 and 200 hPa and for the tropopause. It was found that the tropospheric temperature variability is highest in the cold months of the year and lowest in summer. Annual temperature variability in the upper troposphere is less than in the lower. Temperature trends for the MISs from 850 to 300 hPa for the year and summer are positive and almost everywhere statistically significant at a significance level of .05. For a year, they average from about 0.2°C to 0.5°C/decade. In summer, they are slightly greater and are 0.4–0.5°C. On the MIS of 200 hPa over Poland, however, there are negative thermal trends, both in the year and in summer. They are approximately −0.1°C/decade. In winter, the trends are much smaller than in the summer or for the year. In the lower troposphere they are weak and positive, while in the upper troposphere they are weak and negative. Negative tendencies in the thermal tropopause over Poland were found. For the year and seasons, this trend ranges from −0.2 to −0.3°C/decade. The obtained results regarding the temperature of the troposphere and tropopause over Poland correspond with the results of earlier studies from Europe and the around world. They confirm the warming of the lower and cooling of the upper troposphere with the tropopause, which has been taking place in the last few decades.
Design and synthesis of boron complexes as new Raman reporter molecules for sensitive SERS nanotags
Authors: Javaid Rashid , Sayyadi Nima , Mylvaganam Kausala , Venkatesan Koushik , Wang Yuling , Rodger Alison
Published: November 2020

A new series of boron complexes consisting of pyridine‐pyrazole ligands has been designed, synthesized and evaluated for its Raman activity using solid‐state Raman spectroscopy. The detailed surface‐enhanced Raman scattering (SERS) study of selected dye 2‐(3‐(pyridin‐4‐yl)‐1H‐pyrazol‐5‐yl) pyridine (P4) on gold nanoparticles (AuNPs) of size 40 nm revealed that it can detect as small as the nanomole level with signal quality that is superior to structurally similar commercially available reporter molecules (RMs), rendering it a suitable RM for sensitive SERS nanotags.
Identification, taste characterization and molecular docking study of novel umami peptides from the Chinese anchovy sauce
Authors: Zhu Wenhui , Luan Hongwei , Bu Ying , Li Xuepeng , Li Jianrong , Zhang Yuyu
Published: November 2020

BACKGROUND

Fish sauce has a subtle flavor with prominent umami and salty taste, and is accompanied by a certain sweetness and bitterness. In order to identify a wider range of umami peptides, Chinese southern and northern anchovy sauce were selected for the study.

RESULTS

Seventeen peptides were obtained by separation and purification, and their taste activity was predicted. Through the taste characterization and descriptive analysis, it was found that the synthesized peptides were umami and umami‐enhancing peptides. Seventeen umami peptides were simulated and embedded into the umami receptor T1R1/T1R3 by inserting into the Venus flytrap domain (VFTD) of the T1R3 subunit; the interaction forces were mainly hydrogen bonding, electrostatic interaction, van der Waals force and hydrophobic interaction. According to the docking interaction energies, long‐chain peptides may be easier to bind to the receptor than short‐chain peptides. Asp196, Glu128 and Glu197 were the main binding sites for docking, and could affect umami synergism.

CONCLUSION

For the first time, novel umami peptides in Chinese anchovy sauce have been reported. This study is helpful for discovering umami marine resource peptides, and can provide a basis for further understanding the flavor system of anchovy sauce. © 2020 Society of Chemical Industry
Automated micro‐solid‐phase extraction clean‐up of polycyclic aromatic hydrocarbons in food oils for analysis by gas chromatography–orbital ion trap mass spectrometry
Authors: Eyring Philipp , Preiswerk Thomi , Frandsen Henrik Lauritz , Duedahl‐Olesen Lene
Published: November 2020

Food can contain unwanted compounds and need to be analyzed for compounds like carcinogenic polycyclic aromatic hydrocarbons to ensure consumer safety. The analytes need to be extracted from the sample matrix and cleaned‐up to enable detection. However, established methods for clean‐up are labor intensive and have a high expenditure on organic solvents. Here, we show a newly developed micro‐solid‐phase extraction cartridge method to automate the clean‐up for analysis of polycyclic aromatic hydrocarbons in sunflower oil using gas chromatography with quadrupole‐orbitrap mass spectrometry with a TriPlus autosampler. This automated micro‐solid‐phase extraction cartridge method needs only 4 μL of vegetable oil sample and requires only 360 μL acetonitrile for elution, and, therefore, it needs only small amounts of organic solvent. Two different micro‐solid‐phase extraction cartridge methods were developed, one using two commercially available cartridges with florisil and octadecylsilane/Z‐Sep/CarbonX, and the other method using one commercially available cartridge with florisil followed by one self‐made cartridge with octadecylsilane/Z‐Sep. The latter method showed successful lipid removal and was further validated for 22 of 24 polycyclic aromatic hydrocarbon compounds in sunflower oil at a spiked level of 1090 μg/kg with recoveries ranging from 53 to 118% and relative standard deviation below 22%. This method shows promising short‐time clean‐up with low expenditure of solvents.
Evaluation of the Graft Kidney in the Early Postoperative Period
Authors: Goyal Ankur , Hemachandran Naren , Kumar Atin , Sharma Raju , Shamim Shamim Ahmed , Bansal Virinder Kumar , Das Chandan Jyoti , Kandasamy Devasenathipathy , Agarwal Sanjay Kumar , Dinda Amit Kumar , Seenu V.
Published: November 2020

Objectives

To evaluate the various quantitative parameters of Doppler ultrasound, contrast‐enhanced ultrasound (CEUS), and shear wave elastography (SWE) of graft kidneys in the early postoperative period and to explore their utility in the diagnosis of parenchymal causes of graft dysfunction.

Methods

In this ethically approved study, consecutive patients who underwent renal transplantation from March 2017 to August 2018 were recruited, and those with urologic or vascular complications and those who denied consent were excluded. All patients underwent ultrasound with Doppler, SWE, CEUS (using sulfur hexafluoride), and renal scintigraphic examinations 3 to 10 days after transplantation. A composite reference standard was used, including the clinical course, renal function test results, urine output, and histopathologic results for graft dysfunction. Cortical SWE values, quantitative CEUS parameters (generated from a time‐intensity curve), and their ratios were analyzed to identify graft dysfunction and differentiate acute tubular necrosis (ATN) from acute rejection (AR).

Results

Of the 105 patients included, 19 developed graft dysfunction (18.1%; 12 ATN, 5 AR, and 2 drug toxicity) in the early postoperative period. The peak systolic velocity in the interpolar artery showed a significant difference between control and graft dysfunction groups (P < .001) as well as between ATN and AR (P = .019). Resistive indices and SWE did not show significant differences. Ratios of the time to peak showed a significant difference between control and graft dysfunction groups (P < .05). The rise time and fall time of the large subcapsular region of interest and the rise time ratio were significantly different between ATN and AR (P = .03).

Conclusions

Contrast‐enhanced ultrasound can be used to diagnose parenchymal causes of early graft dysfunction with reasonable diagnostic accuracy.
Seven Solutions for Neuroprotection in Parkinson's Disease
Authors: Devos David , Hirsch Etienne , Wyse Richard
Published: November 2020

Parkinson's disease (PD) is a neurodegenerative disorder characterized by loss of dopaminergic neurons in the substantia nigra and accumulation of iron and alpha‐synuclein; it follows a characteristic pattern throughout the nervous system. Despite decades of successful preclinical neuroprotective studies, no drug has then shown efficacy in clinical trials. Considering this dilemma, we have reviewed and organized solutions of varying importance that can be exclusive or additive, and we outline approaches to help generate successful development of neuroprotective drugs for PD: (1) select patients in which the targeted mechanism is involved in the pathological process associated with the monitoring of target engagement, (2) combine treatments that target multiple pathways, (3) establish earliest interventions and develop better prodromal biomarkers, (4) adopt rigorous methodology and specific disease‐relevant designs for disease‐modifying clinical trials, (5) customize drug with better brain biodistribution, (6) prioritize repurposed drugs as a first line approach, and (7) adapt preclinical models to the targeted mechanisms with translational biomarkers to increase their predictive value. © 2020 International Parkinson and Movement Disorder Society
Amid ACA, Medicaid concerns, field vows to work with new administration
Authors: Canady Valerie A.
Published: November 2020

As President‐elect Joseph Biden continues with his transition process, the mental health community congratulates him and Vice President‐elect Kamala D. Harris on their historic win last week. They remain hopeful about working with the new administration to address key policies that will support mental health and substance use disorder treatment, and continued advocacy for mental health prevention and intervention.
Senate FY 2021 budget reveals increases for SAMHSA, MH research
Authors: Canady Valerie A.
Published: November 2020

The U.S. Senate released its discretionary Labor‐Health and Human Services spending bills Nov. 10, which includes $6 billion in Substance Abuse and Mental Health Services Administration (SAMHSA) funding — equal to what the House passed in August. Mental health research received funding increases, while other mental health programs were level‐funded.
Nodal conduction block: A unifying concept
Authors: Oh Shin J.
Published: November 2020

A newly introduced term, “axonal conduction block,” brought a confusion in the electrodiagnostic diagnosis of Guillain‐Barrè syndrome (GBS). I am proposing the term “nodal conduction block” for “axonal conduction block.” This unifying concept of nodal conduction block will accommodate both the traditional concept of demyelination as well as the new concept of nodopathy in the “axonal form of GBS,”, making the practice of electrodiagnosis much easier.
Patient safety. Factors for and perceived consequences of nursing errors by nursing staff in home care services
Authors: Jachan Deborah Elisabeth , Müller‐Werdan Ursula , Lahmann Nils Axel
Published: November 2020

Aim

To identify factors for and perceived consequences of nursing errors by nursing staff in home care services in correlation with qualification, work experience, working hours and trainings.

Background

Patient safety has increasingly been brought into focus of politics and care practices over the past few years. However, little evidence has been provided yet on nursing errors in out‐of‐hospital settings.

Design

A cross‐sectional study.

Methods

Randomized sample of 107 home care services and 656 nurses and nursing assistants recruited from all 16 federal states in Germany.

Results

Missing trainings on error management within the past 2 years were identified to be an important factor for mistakes regarding hygienic measures and medication administration. However, most errors arose in documentation without any significant differences in qualification, work experience, training and working hours.

Conclusion

Findings indicate that insufficient hygiene and medication administration might be reduced by implementing error management trainings on a regular basis in home care services.
Core‐shell nanofibrous membrane of polycaprolactone‐hyaluronic acid as a promising platform for the efficient capture and release of circulating tumor cells
Authors: Asghari Sahar , Mahmoudifard Matin
Published: November 2020

According to the increase of deaths due to the metastasis of primary tumors in many cancers, a smart system is required to recognize the initialization of metastasis, immediately and efficiently. In this paper, we introduce a novel platform based on the electrospun nanofibrous membranes (NFMs) for efficient capture of circulating tumor cells (CTCs) and then release them for further study. It is important to note that the detection of CTC must be specific and accurate to start treatment safely with the correct dose of the drug. The number of present CTCs in blood can determine the progress of cancer and its capability for metastasis. Therefore, the early detection of cancer and using lower doses of drugs leads to more efficient treatment with lower side effects of drugs, whereas the treatment of secondary tumors require more drug and cost. For this purpose, we generated a NFM from polycaprolactone/hyaluronic acid (HA) and with a core‐shell structure to achieve CTC trapping with the application of early diagnosis of metastasis. Besides, we proved that the retrieval of these cells is possible using hyaluronidase. Our results demonstrated that the cancerous cell capture efficacy using this kind of core‐shell NFMs is about 75% (compare to 25% in PCL NFM) which is a significant ratio. Also, it was proved that around 70% of these captured cells can release via hyaluronidase (in comparison with 20% for PCL NFM) with protecting their viability.
Stimuli‐responsive mechanical properties in polymer glasses: challenges and opportunities for defense applications
Authors: Dennis Joseph M , Savage Alice M , Mrozek Randy A , Lenhart Joseph L
Published: November 2020

The potential utility that responsive glasses provide in the areas of aeronautics, protection and unmanned systems is reviewed in this article. The article focuses on two broad classes of stimuli, photo and thermal, to better illustrate the challenges and convey some of the potential in developing these materials for the often extreme operational environments of defense applications. Three response mechanisms are outlined to provide a range of mechanical behaviors on demand: (i) shape‐changing functionalities which locally yield or soften the material to stimulate chain mobility; (ii) bond forming (or breaking) chemistries which increase (or decrease) the stiffness of the material; and (iii) energy absorbing groups which convert the incoming stimuli into a spatially controlled heating and result in a designed softening of the material. Overall, continuing to develop responsive polymer glasses that respond rapidly and efficiently under low energy inputs will be critical for future defense applications. Published 2020. This article is a U.S. Government work and is in the public domain in the USA
Temperature‐Dependent Photochromic Performance of Yttrium Oxyhydride Thin Films
Authors: Baba Elbruz Murat , Weiser Philip Michael , Zayim Esra Özkan , Karazhanov Smagul
Published: November 2020

Yttrium oxyhydride (YHO) is a rare‐earth‐metal oxyhydride that has attracted considerable attention due to its outstanding photochromic properties. The transparency of YHO thin films across the infrared and visible spectral regions is reduced considerably under UV illumination (photodarkening) and recovers when the illumination is removed (bleaching). Although oxygen diffusion has been shown to be necessary for these processes, the exact mechanism for the photochromic behavior is not yet understood. In this work, infrared spectroscopy is utilized to investigate the effect of temperature on the photochromic properties of YHO thin films. The measurements show that YHO can photodarken at temperatures as low as 5 K, where anion diffusion is expected to be severely limited. The bleaching of the films is small, but not zero, for temperatures between 5 and 50 K. A stepwise recovery of the transmittance is observed as the temperature of the films is increased above 100 K up to 250 K. The temperature‐dependent data show that anion diffusion is not required to explain the photochromic behavior of YHO, and that an additional mechanism (or mechanisms), e.g., electronic charge transfer, contributes to the photochromic behavior of YHO, as well as other rare‐earth‐metal oxyhydrides.
An algorithm to correct for the CASSCF active space in multiscale QM/MM calculations based on geometry ensembles
Authors: Cárdenas Gustavo , Nogueira Juan J.
Published: November 2020

When the excitation energies of an ensemble of geometries, computed by the complete active space self‐consistent field (CASSCF) or other CAS‐based methods, are convoluted to obtain the absorption spectrum, it is advisable that all the considered geometries have the same molecular orbitals within the active space. In this work, we present an algorithm that evaluates the molecular orbital overlap matrix between a previously selected reference geometry, with the desired active space, and each of the sampled geometries. Based on the value of the overlap matrix elements, the algorithm determines whether one or more pairs of molecular orbitals of the sampled geometry have to be swapped for a subsequent CASSCF calculation. We have applied the developed algorithm to CASSCF and CASPT2 calculations for sets of geometries of the five canonical nucleobases in vacuum and in aqueous solvent. The algorithm shows a very good efficacy since it recovered the correct active space for 90% of the geometries which presented undesired molecular orbitals in the active space after the first CASSCF wavefunction optimization. In addition, the importance of having the same orbitals within the active space for all the geometries is discussed based on the corrected and uncorrected density of states for the nucleobases.
Quantitative simulation of the particle size distribution of eroded sediment on grass slopes with intact plants and root slopes with the aboveground parts removed
Authors: Liu Xiaona , Fan Dengxing , Jia Guodong , Yu Xinxiao
Published: November 2020

To quantitatively simulate the particle size distribution (PSD) of eroded sediment on grass and root slopes, simulated rainfall experiments were implemented on grass slopes with intact plants and root slopes with the aboveground parts removed. There were four coverage degrees (Cr) (0, 20, 40, and 60%), two rainfall intensities (R) (60 and 90 mm h–1) and two slope gradients (J) (15° and 25°). The content of sand‐sized particles was greatest in the eroded sediment from the grass slope, whereas the content of fine silt‐sized particles was greatest in the eroded sediment from the root slope. The PSD of eroded sediment was influenced by Cr, R, J, and hydrodynamic characteristics [flow velocity (u), flow depth (h), Reynolds number (Re), Froude number (Fr), resistance coefficient (f), runoff shear force (t), runoff power (w), unit runoff power (P)]. Through grey relational analysis, the relational degree (γ) of these impact factors to the PSD of eroded sediment was ranked γR > γRe > γJ > γh > γw > γu > γt > γP > γFr > γCr > γf on the grass slope and γR > γRe > γJ > γh > γt > γw > γu > γFr > γp > γf > γCr > on the root slope. The radial basis function neural network performed well at simulating the PSD of eroded sediment on both the grass and root slopes. These results lay the foundation for the establishment of a physics‐ based soil erosion model and a chemical transport model.
Advancements in Therapeutics via 3D Printed Multifunctional Architectures from Dispersed 2D Nanomaterial Inks
Authors: Chakraborty Pritam K. , Azadmanjiri Jalal , Pavithra Chokkakula L. P. , Wang Xiaojian , Masood Syed H. , Dey Suhash Ranjan , Wang James
Published: November 2020

2D nanomaterials (2DNMs) possess fascinating properties and are found in multifarious devices and applications including energy storage devices, new generation of battery technologies, sensor devices, and more recently in biomedical applications. Their use in biomedical applications such as tissue engineering, photothermal therapy, neural regeneration, and drug delivery has opened new horizons in treatment of age‐old ailments. It is also a rapidly developing area of advanced research. A new approach of integrating 3D printing (3DP), a layer‐by‐layer deposition technique for building structures, along with 2DNM multifunctional inks, has gained considerable attention in recent times, especially in biomedical applications. With the ever‐growing demand in healthcare industry for novel, efficient, and rapid technologies for therapeutic treatment methods, 3DP structures of 2DNMs provide vast scope for evolution of a new generation of biomedical devices. Recent advances in 3DP structures of dispersed 2DNM inks with established high‐performance biomedical properties are focused on. The advantages of their 3D structures, the sustainable formulation methods of such inks, and their feasible printing methods are also covered. Subsequently, it deals with the therapeutic applications of some already researched 3DP structures of 2DNMs and concludes with highlighting the challenges as well as the future directions of research in this area.
By Way of Summary: Substantive Contributions and Public Policies for Dealing with Social Inequalities
Authors: Fachelli Sandra , López-Roldán Pedro
Published: November 2020

The final chapter aims to summarize the main substantive contributions of each of the preceding ones and the public policies that could be applied to deal with social inequalities. It also presents a general proposal for a future research programme in comparative analysis of social inequalities between Europe and Latin America.
Comparing Inequalities in the Labour Market from a Segmentation Perspective
Authors: López-Roldán Pedro , Semenza Renata , Salvia Agustín
Published: November 2020

The purpose of this chapter is to carry out a comparative analysis of labour markets in Europe and Latin America from the perspective of segmentation in order to explain the processes of social inequality that arise in the workplace, in light of recent trends in global socio-economic changes. The chapter proposes two main objectives. The first is to perform a comparative descriptive analysis of the main features of labour markets among 60 European and Latin American countries. The second objective is to propose a model of comparative analysis of labour inequality from the theoretical perspective of the segmentation of the labour market and structural heterogeneity. We will focus our analysis by selecting two countries, Spain and Argentina, which both underwent a late development of capitalism. The following general hypothesis is formulated: Spain and Argentina, having clearly differentiated features in economic structure, level of development, institutional frameworks and socio-historical processes, show common dynamics in the structuring of the capitalist labour market between a primary and secondary segment. Using equivalent databases on the workforce a typology of segmentation of employment is constructed that show, in addition to the specificities of each country, the similarities in the structuring of the labour market.
Digital Revolution and Sociocultural Change
Authors: Miguélez Fausto , Planas Jordi , Benítez Paulina
Published: November 2020

The title of this chapter refers to how current developments in technology are not just one further innovation of the industrial era, but will lead to decisive changes in production methods, markets, labour, consumption and, to a considerable extent, personal and social relationships. But these changes will be happening within the economic and political framework of the period prior to digitalisation and will persist in the globalisation of the economy. These pages will focus on what we believe to be key issues: changes to business and work, changes to the education and training of people in general and the active population in particular, and certain activities that will have a profound effect on the way we communicate and relate to each other.

No technological innovation, not even this one, exists and acts in isolation from the socio-political framework. Therefore, it is also important to analyse the policies and strategies that might lead the digital economy in one direction or another, towards an increase in inequality or in welfare. Going further, what our analysis does not cover is how the digital revolution could be of great help to curb the climate crisis, with changes in energy production, mobility, construction and protection of the environment, provided there is political will and consequent action.
Changes in Economic Inequality in Europe and Latin America in the First Decades of the Twenty-First Century
Authors: Salvia Agustín
Published: November 2020

This chapter contains a comparative analysis of the changes in the inequality of family income distribution in the last two decades in Latin America and Europe. The study examines the degree to which the economic-productive factors—associated with the primary income distribution—or, on the contrary, the social policies—linked to the secondary distribution—reveal structural differences in economic inequality between regions in the 2000–2017 period. Based on a wide sample of countries, the evolution of inequality is compared within and between regions. The dissimilarity of these behaviours is examined as well as how valid certain economic-institutional factors are to give an account of the changes that occurred within each region.

The chapter shows that, in the last two decades of the twenty-first century, Western Europe and Latin America have reduced their economic inequality gap, although following different paths: while inequality decreased in the majority of Latin American countries, an inverse process, although moderate, has been taking place in the majority of Europe. While both trends had national exceptions, the evidence presented helps us to deduce that it was simultaneously due to productive changes and to changes in the growth style, and to transformations in the redistributive efficiency of expenditure on social policies.
Digital Intrapreneurship: The Corporate Solution to a Rapid Digitalisation
Authors: Pinchot Gifford , Soltanifar Mariusz
Published: November 2020

For decades, intrapreneurship has been, and is still, promoted to employees as a way to capture the creativity and excitement of entrepreneurship, albeit with more resources and less risk. Intrapreneurship creates opportunities for individuals to be innovative and entrepreneurial within and for the organisation that employs them. The ways in which intrapreneurs act have not changed, unlike the business context surrounding them. Digitalisation has opened the path for new intrapreneurial opportunities; however, the amount of attention paid to the role of digital intrapreneurs within existing organisations is limited. We present our own definition of digital intrapreneurship and position our definition in the digital landscape where modern companies operate. This chapter outlines numerous ways to foster digital intrapreneurship, including a set of practical methods for managers to identify, and empower digital intrapreneurs. The chapter presents three case studies and discusses their practical implications for entrepreneurs and their teams.
Business Model Development and Validation in Digital Entrepreneurship
Authors: Göcke Lutz , Weninger Robin
Published: November 2020

Every venture is developed under high uncertainty and causal ambiguity. A large majority of digital startups leverage the lean startup approach to validate the attractiveness of their venture, to reduce avoidable investments of scarce resources, and to structure the venturing process. Digital entrepreneurs highlight that prioritization and the definition of MVPs are two challenges that entrepreneurs face when applying the lean startup approach. We provide support on these particular challenges through a structured approach—the venture pyramid—to (in)validate digital business models in the face of high uncertainty. Furthermore, we map different types of digital business models with patterns of minimum viable products to inspire digital entrepreneurs and scientists alike. To illustrate our thoughts, we have developed two case studies of German startups that applied a process of rigorous iteration and learning to their venturing processes.
„Uni auf den Acker!“ – eine weltzugewandte ökonomische Bildung auf Exkursion
Authors: Hopp Johanna , Steffestun Theresa
Published: November 2020

In Zeiten multipler sozialer, ökologischer und ökonomischer Krisen sieht sich die Ökonomie, insbesondere aber die ökonomische Bildung durch die studentische Kritik an ihrer Weltfremdheit, Abstraktheit und ethischen Unschärfe zur Verantwortung gerufen. Im vorliegenden Beitrag berichten die Autorinnen von ihren Erfahrungen bei der Umsetzung einer dezidiert weltzugewandten ökonomischen Bildung. Diese rückt den Kontext wirtschaftlichen Denkens und Handelns auf der einen und das erkennende und sich bildende Subjekt auf der anderen Seite in den Mittelpunkt des Bildungsgeschehens. Am Beispiel der einwöchigen Exkursion von Ökonomiestudierenden der Cusanus Hochschule für Gesellschaftsgestaltung in das landwirtschaftliche Ensemble von Rothenklempenow legen die Autorinnen die didaktische Umsetzung dieses Bildungsanliegens dar.
Gedeih-Räume sozioökonomischer Hochschullehre. Zur Innenarchitektur einer lebendigen Wirtschaftsdidaktik
Authors: Casper Marc
Published: November 2020

Dieser Beitrag ist als Zusammenschau gedacht und widmet sich übergeordneten Fragen dieses Bandes: Welche Menschen und Institutionen betrifft sozioökonomische Hochschullehre? Welche Merkmale und Spannungsfelder kennzeichnen hochschulisches Lernen im Allgemeinen und sozioökonomische Lehre im Besonderen? Aus den vorliegenden Beiträgen wird außerdem das gemeinsame Anliegen lebendigen Lernens identifiziert und nach drei Bestimmungen ausdifferenziert: Nach biographischen, lebensweltlichen Bezügen; nach der sinnlich-ästhetischen Qualität von Lernprozessen und nach der Interaktionsmoral von Lerngruppen. Abschließend werden institutionelle und persönliche Entwicklungslinien einer sozioökonomischen Hochschulbildung aufgezeigt.
Ergebnisse: Vor dem Studium
Authors: Krannich Sascha , Hunger Uwe
Published: November 2020

Ein Ziel des KAAD ist es, möglichst viele Studierende aus finanziell benachteiligten Familien zu fördern, um ihnen einen sozialen Aufstieg durch Bildung zu ermöglichen und damit zu einer Bekämpfung der Armut in den Herkunftsländern beizutragen. In unserer Onlineumfrage gab fast die Hälfte der Alumni an, dass sie aus einer Familie der unteren Mittelschicht stammen (49,7 %), ein weiteres Viertel aus der oberen Mittelschicht (24,9 %), ca. 12 Prozent ordneten ihre Familie der Unterschicht und 2 Prozent der Oberschicht in ihren Herkunftsländern zu. In Ghana stammen besonders viele Alumni aus finanzschwachen Familien, die traditionsgemäß ihr Einkommen in der Landwirtschaft erzielen.
Diskussion und Schlussfolgerungen
Authors: Krannich Sascha , Hunger Uwe
Published: November 2020

Insgesamt hat die Studie ein großes Potenzial der internationalen Studierendenmigration und der Arbeit des KAAD in der Entwicklungszusammenarbeit zu Tage gefördert. Im Rahmen ihres entwicklungsbezogenen Wirkens können internationale Studierende vielfältige Funktionen ausüben. Der Wissens- und Ideentransfer ist dabei sicher eine Hauptform, in der (ehemalige) internationale Studierende zur Entwicklung in ihren Herkunftsländern beitragen.
Gravitational positivity bounds
Authors: Tokuda Junsei , Aoki Katsuki , Hirano Shin’ichi
Published: November 2020

Abstract

We study the validity of positivity bounds in the presence of a massless graviton, assuming the Regge behavior of the amplitude. Under this assumption, the problematict-channel pole is canceled with the UV integral of the imaginary part of the amplitude in the dispersion relation, which gives rise to finite corrections to the positivity bounds. We find that low-energy effective field theories (EFT) with “wrong” sign are generically allowed. The allowed amount of the positivity violation is determined by the Regge behavior. This violation is suppressed by$$ {M}_{\mathrm{pl}}^{-2}\alpha^{\prime } $$Mpl−2α′whereα′ is the scale of Reggeization. This implies that the positivity bounds can be applied only when the cutoff scale of EFT is much lower than the scale of Reggeization. We then obtain the positivity bounds on scalar-tensor EFT at one-loop level. Implications of our results on the degenerate higher-order scalar-tensor (DHOST) theory are also discussed.
Ultra-stable charging of fast-scrambling SYK quantum batteries
Authors: Rosa Dario , Rossini Davide , Andolina Gian Marcello , Polini Marco , Carrega Matteo
Published: November 2020

Abstract

Collective behavior strongly influences the charging dynamics of quantum batteries (QBs). Here, we study the impact of nonlocal correlations on the energy stored in a system ofNQBs. A unitary charging protocol based on a Sachdev-Ye-Kitaev (SYK) quench Hamiltonian is thus introduced and analyzed. SYK models describe strongly interacting systems with nonlocal correlations and fast thermalization properties. Here, we demonstrate that, once charged, the average energy stored in the QB is very stable, realizing an ultraprecise charging protocol. By studying fluctuations of the average energy stored, we show that temporal fluctuations are strongly suppressed by the presence of nonlocal correlations at all time scales. A comparison with other paradigmatic examples of many-body QBs shows that this is linked to the collective dynamics of the SYK model and its high level of entanglement. We argue that such feature relies on the fast scrambling property of the SYK Hamiltonian, and on its fast thermalization properties, promoting this as an ideal model for the ultimate temporal stability of a generic QB. Finally, we show that the temporal evolution of the ergotropy, a quantity that characterizes the amount of extractable work from a QB, can be a useful probe to infer the thermalization properties of a many-body quantum system.
Exponential growth of out-of-time-order correlator without chaos: inverted harmonic oscillator
Authors: Hashimoto Koji , Huh Kyoung-Bum , Kim Keun-Young , Watanabe Ryota
Published: November 2020

Abstract

We provide a detailed examination of a thermal out-of-time-order correlator (OTOC) growing exponentially in time in systems without chaos. The system is a one-dimensional quantum mechanics with a potential whose part is an inverted harmonic oscillator. We numerically observe the exponential growth of the OTOC when the temperature is higher than a certain threshold. The Lyapunov exponent is found to be of the order of the classical Lyapunov exponent generated at the hilltop, and it remains non-vanishing even at high temperature. We adopt various shape of the potential and find these features universal. The study confirms that the exponential growth of the thermal OTOC does not necessarily mean chaos when the potential includes a local maximum. We also provide a bound for the Lyapunov exponent of the thermal OTOC in generic quantum mechanics in one dimension, which is of the same form as the chaos bound obtained by Maldacena, Shenker and Stanford.
Partial Reactions of the Na,K-ATPase: Determination of Activation Energies and an Approach to Mechanism
Authors: Apell Hans-Jürgen , Roudna Milena
Published: November 2020

Kinetic experiments were performed with preparations of kidney Na,K-ATPase in isolated membrane fragments or reconstituted in vesicles to obtain information of the activation energies under turnover conditions and for selected partial reactions of the Post-Albers pump cycle. The ion transport activities were detected with potential or conformation sensitive fluorescent dyes in steady-state or time-resolved experiments. The activation energies were derived from Arrhenius plots of measurements in the temperature range between 5 °C and 37 °C. The results were used to elaborate indications of the respective underlying rate-limiting reaction steps and allowed conclusions to be drawn about possible molecular reaction mechanisms. The observed consequent alteration between ligand-induced reaction and conformational relaxation steps when the Na,K-ATPase performs the pump cycle, together with constraints set by thermodynamic principles, provided restrictions which have to be met when mechanistic models are proposed. A model meeting such requirements is presented for discussion.

Graphic Abstract