bluuebunny/crossref_metadata_2025 huggingface dataset:
Enzyme Multifunctionality by Control of Substrate Positioning Within the Catalytic Cycle—A QM/MM Study of Clavaminic Acid Synthase
Authors: Wojdyla Zuzanna , Borowski Tomasz
Published: November 2020

Clavaminic acid synthase from Streptomyces clavuligerus is an FeII/2‐oxoglutarate‐dependent dioxygenase, crucial for the biosynthesis of the β‐lactamase inhibitor clavulanic acid. It catalyses three consecutive oxidative reactions, that is, hydroxylation, cyclisation and desaturation, in a single binding cavity. As follows from the results of this QM/MM study, CAS versatility and selectivity depends on the binding cavity, which interplays differently with the substrate for each reaction. The enzyme–substrate interactions affect the substrate's ability to re‐position during the reaction, either constraining it in its primary position, which impedes processes other than oxygen rebound, or allowing change, which facilitates desaturation. This differential effect originates from two aspartate residues, which strongly interact with the guanidine group of the hydroxylation substrate and stabilise the orientation of the molecule. These residues interact less effectively with the smaller amine group of the desaturation substrate(s), aiding their re‐positioning and the subsequent formation of a double bond.
Reversibly Switchable Phase‐Dependent Emission of Quinoline and Phenothiazine Derivatives towards Applications in Optical Sensing and Information Multicoding
Authors: Sych Galyna , Pashazadeh Ramin , Danyliv Yan , Bezvikonnyi Oleksandr , Volyniuk Dmytro , Lazauskas Algirdas , Grazulevicius Juozas V.
Published: November 2020

Three new quinoline and di‐tert‐butyl phenothiazine isomeric derivatives were synthesized and characterized towards applications for oxygen sensing and optical information multicoding. The compounds with phenylene linker showed outstanding phase‐dependent reversibility between ON/OFF states (low and high emission intensity, drastic shifting of emission colors, short‐ and long‐lived fluorescence) in systematic grinding/fuming cycles, as required for multichannel memory devices based on optical information multicoding. The conformational diversity of the phenothiazine unit resulted in dual emission of the doped films implemented by the different luminescence mechanisms with peaks located at 414/530, 416/540, and 440/582 nm. The presence of a phenylene linker and thus two rotational degrees of freedom resulted in quenching of the delayed fluorescence of quasi‐equatorial conformers in the solid state. The compound containing no phenylene bridge was characterized by two different driving photoluminescence mechanisms of the doped films: short fluorescence of the quasi‐axial conformer and thermally activated delayed fluorescence of the quasi‐equatorial form. This compound showed oxygen sensitivity with a Stern–Volmer constant of 7.5×10−4 ppm−1.
Candida antarctica lipase‐B‐catalyzed kinetic resolution of 1,3‐dialkyl‐3‐hydroxymethyl oxindoles
Authors: Kumar Naveen , Kumar Akshay , Sahoo Subash Chandra , Chimni Swapandeep Singh
Published: November 2020

Candida antarctica (CAL‐B) lipase‐catalyzed resolution of 1,3‐dialkyl‐3‐hydroxymethyl oxindoles has been performed to obtain (R)‐1,3‐dialkyl‐3‐acetoxymethyl oxindoles with up to 99% ee and (S)‐1,3‐dialkyl‐3‐hydroxymethyl oxindoles with up to 78% ee using vinyl acetate as acylating agent and acetonitrile as solvent transforming (S)‐3‐allyl‐3‐hydroxymethyl oxindole to (3S)‐1′‐benzyl‐5‐(iodomethyl)‐4,5‐dihydro‐2H‐spiro[furan‐3,3′‐indolin]‐2′‐one. The optically active 3‐substituted‐3‐hydroxymethyl oxindoles and spiro‐oxindoles are among the key synthons in the synthesis of potentially biologically active molecules.
Can managers become entrepreneurs? A moderated mediation model of entrepreneurial intention
Authors: Karadağ Hande , Şahin Faruk
Published: November 2020

This study investigates the role of entrepreneurial knowledge on the formation of entrepreneurial intentions in a sample of 190 middle‐level managers by extending the theory of planned behaviour (TPB). Findings indicate that entrepreneurial knowledge has a significant and positive effect on entrepreneurial intention (EI), whereas personal attitude (PA) and personal behavioural control (PBC) mediate the relationship between entrepreneurial knowledge and intention. Findings also indicate that the third construct of TPB, namely social norm, moderates the mediating role of the indirect intention effect of entrepreneurial knowledge through PA and PBC differently. Together, the findings suggest several directions for managers and organizations, as well as policy‐makers, who are responsible for creating more productive and innovative entrepreneurial ventures.
Investigation of catalytic hydrodeoxygenation of anisole as bio‐oil model compound over Ni‐Mo/TiO2 and Ni‐V/TiO2 catalysts: Synthesis, kinetic, and reaction pathways studies
Authors: Aqsha Aqsha , Katta Lakshmi , Tijani Mansour M. , de Oliveira Camilla F. , Mahinpey Nader
Published: November 2020

This work investigates the catalytic hydrodeoxygenation (HDO) of a model component (anisole) of lignocellulose biomass over Mo‐ and V‐promoted Ni deposited on titania support. The physico‐chemical properties of each material were elucidated, and reactions were studied over a wide range of temperatures to enable examination of kinetic parameters. Crystallite sizes were estimated and were corroborated strongly by the transmission electron microscopy results. The presence of Ni, Ti, Mo, and V species was confirmed through X‐ray photoelectron spectroscopy (XPS). Significant HDO activity for both the catalysts could be attributed to high dispersions of metals and acidic sites, which were affected by the interaction between Ni metal and the titania support. The higher activity of Ni‐Mo/TiO2 may have resulted from the high Ni/Ti surface atomic ratio, which was confirmed by XPS. The major product of the anisole HDO reactions was phenol. Interestingly, a considerable amount of benzene and cyclohexane was also noticed in the anisole HDO reaction. The overall activation energy values for anisole reactions over Ni‐Mo/TiO2 and Ni‐V/TiO2 were 80.9 kJ/mol and 53.9 kJ/mol, respectively.
Characterization of mWake expression in the murine brain
Authors: Bell Benjamin J. , Wang Annette A. , Kim Dong Won , Xiong Jiali , Blackshaw Seth , Wu Mark N.
Published: November 2020

Structure–function analyses of the mammalian brain have historically relied on anatomically‐based approaches. In these investigations, physical, chemical, or electrolytic lesions of anatomical structures are applied, and the resulting behavioral or physiological responses assayed. An alternative approach is to focus on the expression pattern of a molecule whose function has been characterized and then use genetic intersectional methods to optogenetically or chemogenetically manipulate distinct circuits. We previously identified WIDE AWAKE (WAKE) in Drosophila, a clock output molecule that mediates the temporal regulation of sleep onset and sleep maintenance. More recently, we have studied the mouse homolog, mWAKE/ANKFN1, and our data suggest that its basic role in the circadian regulation of arousal is conserved. Here, we perform a systematic analysis of the expression pattern of mWake mRNA, protein, and cells throughout the adult mouse brain. We find that mWAKE labels neurons in a restricted, but distributed manner, in multiple regions of the hypothalamus (including the suprachiasmatic nucleus, dorsomedial hypothalamus, and tuberomammillary nucleus region), the limbic system, sensory processing nuclei, and additional specific brainstem, subcortical, and cortical areas. Interestingly, mWAKE is also observed in non‐neuronal ependymal cells. In addition, to describe the molecular identities and clustering of mWake+ cells, we provide detailed analyses of single cell RNA sequencing data from the hypothalamus, a region with particularly significant mWAKE expression. These findings lay the groundwork for future studies into the potential role of mWAKE+ cells in the rhythmic control of diverse behaviors and physiological processes.
Adaptive context‐aware service optimization in mobile cloud computing accounting for security aspects
Authors: Nawrocki Piotr , Sniezynski Bartlomiej , Kolodziej Joanna , Szynkiewicz Pawel
Published: November 2020

In this article, we present an original agent‐based adaptive task scheduling system which optimizes the performance of services in the mobile cloud computing environment using machine learning mechanisms and context information. The system learns how to allocate resources appropriately: how to schedule services/tasks optimally between the mobile device and the cloud. Decisions are made taking into account the context (e.g., network connection type, location, security level). In this study, a supervised learning agent architecture and service selection algorithm are proposed to solve this problem. Adaptation is performed online on a mobile device. To verify the solution proposed, appropriate software has been developed and a series of experiments has been conducted. Results demonstrate that owing to the experience gathered and the learning process performed, the decision module becomes more efficient in assigning the task to either the mobile device or cloud resources. In the face of presented improvements, the security issues inherent in the context of mobile services/applications and cloud computing are further discussed. As threats associated with mobile data offloading are a serious concern, often ruling out the utilization of cloud services, we propose a more security focused approach for our solution, preferably without hindering performance.
Photoredox‐Mediated Synthesis of β‐Hydroxydithioacetals from Terminal Alkynes
Authors: Manzer Manhas Farah , Kumar Jaswant , Raheem Shabnam , Thakur Pankaj , Rizvi Masood Ahmad , Shah Bhahwal Ali
Published: November 2020

A single‐step visible light mediated synthesis of β‐hydroxydithioacetals via oxidative coupling of terminal alkynes with thiophenol is reported. Compared to other multistep strategies, this work presents a rare tandem introduction of disulfides and a hydroxy group at the β‐position in one pot. The reaction is enabled by aerial oxidation, features high efficiency and mild conditions, and is extendable to both aliphatic and aromatic alkynes.
Felt betrayed or resisted? The impact of pre‐crisis corporate social responsibility reputation on post‐crisis consumer reactions and retaliatory behavioral intentions
Authors: Kang Jiyun , Slaten Tiffani , Choi Woo Jin
Published: November 2020

We develop and test a model that illustrates the effects of pre‐crisis corporate social responsibility (CSR) reputation on consumers' perceived betrayal, resistance to negative information, and retaliatory behavioral intentions, accounting for two types of brand crises, namely, corporate ability and corporate responsibility crises. To enhance the external validity and generalizability of our model testing results, we collect data from 1,045 randomly selected adults across the United States. The results from multi‐group structural equation modeling show that when a brand's pre‐crisis CSR reputation is stronger, consumers are less likely to feel betrayed. Stronger pre‐crisis CSR reputation also leads consumers to be more resistant to negative information about the brand. However, the two types of brand crises moderate the effects of pre‐crisis CSR reputation on consumers' reactions and retaliatory behavioral intentions. The results from our research significantly deepen and advance the understanding of the differences in consumer reaction processes between these two crisis types, highlighting consumers' perceived betrayal as the emotional mechanism through which those different consumer responses arise. The results further help practitioners better conceptualize how to respond to a given crisis to minimize consumers' negative feelings and thereby reduce their retaliatory behaviors.
Cultural organizations, digital Corporate Social Responsibility and stakeholder engagement in virtual museums: a multiple case study. How digitization is influencing the attitude toward CSR
Authors: Esposito Paolo , Ricci Paolo
Published: November 2020

The best presentation of a nation's cultural heritage has been a recurrent theme in the scientific and cultural debate. Few studies, however, have investigated how cultural organizations are influenced by digitization when communicating corporate social responsibility. By adopting a multiple case study approach, we investigated a sample of virtual museums and their digital CSR culture. This study contributes to the literature on CSR effectiveness in cultural organizations, by focusing on how digitization is influencing the attitude toward CSR disclosure, in order to provide suggestions for cultural managers, scholars, policymakers and practitioners alike. More specifically, this paper aims to examine stakeholders' perceptions in digital cultural organizations as a new form of social responsibility. To the best of our knowledge, this is the only study that applies this perspective to the analysis of the digitization process through CSR, currently under way across cultural institutions around the world.
Transformative disciplinary learning in history and social studies: Lessons from a high autonomy curriculum in New Zealand
Authors: Wood Bronwyn E. , Sheehan Mark
Published: November 2020

The challenges of naming a bounded disciplinary body of knowledge for the social sciences has made it difficult to define and clearly articulate ‘what counts’ for disciplinary learning in school curricula. The shift to ‘new’ generic skills with an associated autonomy of curriculum content choice and learner‐centred approaches has introduced further challenges for the social sciences. In this paper, we consider what transformative disciplinary learning might look like for two core social science subjects in New Zealand—history and social studies. We begin by outlining what we mean by transformative disciplinary learning in history and social studies. Drawing on two in‐depth classroom‐based studies, we then examine the strategies, practices and processes that supported or undermined transformative disciplinary learning in history and social studies. In the absence of prescribed content, both subjects relied strongly on procedural approaches (historical and social enquiry processes) which helped to sustain some coherency and disciplinary learning. However, poor topic choice meant that students often missed out on in‐depth knowledge and/or opportunities for effective and transformative citizenship engagement. We conclude by highlighting the importance of content selection if students are to widen their horizons and experience transformative disciplinary learning in history and social studies.
A Deep Learning Pipeline for Nucleus Segmentation
Authors: Zaki George , Gudla Prabhakar R. , Lee Kyunghun , Kim Justin , Ozbun Laurent , Shachar Sigal , Gadkari Manasi , Sun Jing , Fraser Iain D. C. , Franco Luis M. , Misteli Tom , Pegoraro Gianluca
Published: November 2020

Deep learning is rapidly becoming the technique of choice for automated segmentation of nuclei in biological image analysis workflows. In order to evaluate the feasibility of training nuclear segmentation models on small, custom annotated image datasets that have been augmented, we have designed a computational pipeline to systematically compare different nuclear segmentation model architectures and model training strategies. Using this approach, we demonstrate that transfer learning and tuning of training parameters, such as the composition, size, and preprocessing of the training image dataset, can lead to robust nuclear segmentation models, which match, and often exceed, the performance of existing, off‐the‐shelf deep learning models pretrained on large image datasets. We envision a practical scenario where deep learning nuclear segmentation models trained in this way can be shared across a laboratory, facility, or institution, and continuously improved by training them on progressively larger and varied image datasets. Our work provides computational tools and a practical framework for deep learning‐based biological image segmentation using small annotated image datasets. Published [2020]. This article is a U.S. Government work and is in the public domain in the USA
Synthesis and in vitro antileishmanial efficacy of benzyl analogues of nifuroxazide
Authors: Kannigadu Christina , Aucamp Janine , N'Da David D.
Published: November 2020

Leishmaniasis is a vector‐borne parasitic disease that mostly affects populations in tropical and subtropical countries. There is currently no vaccine to protect against and only a handful of drugs are available to treat this disease. Leishmaniasis is curable, but its eradication and elimination are hindered by the emergence of multidrug resistant strains of the causative pathogens, accentuating the need for new and effective antileishmanial drugs. In search for such agents, nifuroxazide, a clinical antibiotic, was evaluated through investigation of its benzyl analogues for in vitro antileishmanial efficacy against promastigotes of various Leishmania (L.) strains. The monobenzylated analogues 1 and 2 were the most potent of all, possessing nanomolar activities up to 10‐fold higher than the parent drug nifuroxazide against all three tested Leishmania strains. Both analogues stand as antipromastigote hits for further lead investigation into their potential to act as new antileishmanial agents.
Classifying basin‐scale stratigraphic geometries from subsurface formation tops with machine learning
Authors: Pisel Jesse R. , Pyrcz Michael J.
Published: November 2020

Presented here is a transfer‐learning model for classifying basin‐scale stratigraphic geometries from subsurface formation tops. Support vector, decision trees, random forests, AdaBoost and K‐nearest neighbour classification models are evaluated to support this challenge. Each model is trained on labelled synthetic stratigraphic geometry data generated in Python using observable geological principles and concepts. Accuracy is measured using a weighted Jaccard similarity coefficient score, and certainty of each prediction is quantified using margin sampling. The random forest classifier has the highest initial accuracy, and the optimal hyperparameters for the model that yield 88.4% accuracy and 72.8% mean certainty via five‐fold cross‐validation and active learning are documented on a real‐world subsurface dataset. The random forest classifier with optimised hyperparameters is then used to make predictions on the real‐world subsurface formation tops dataset. The dataset consists of formation tops for the Upper Cretaceous and Palaeocene strata of the Eastern Greater Green River Basin in south‐central Wyoming. Results from model predictions include an area of truncation in the Lance Formation across the basin, and an area of onlap and truncation on the nose of the Rock Springs Uplift that previous studies in the region corroborate. It is believed that this model is most useful for guided interpretation, and identifying regions that warrant further inquiry by domain experts.
The future of skin tightening: Mechanical or biological?
Authors: Duncan Diane I.
Published: November 2020

Introduction

Not too long ago, the concept of nonexcisional skin tightening was a field of dreams. Currently, the field of nonexcisional skin tightening is heavily device dependent. Though great strides have been made in both minimally invasive skin tightening and totally noninvasive devices, will these be in use for decades? Advances in biological research and development have been rapid. Consumer demand for regenerative solutions is high, despite the warnings from the Food and Drug Administration (FDA) noting that benefits are unproven and that instances of charlatan practice are high. While genetic modification of food is frowned upon, the use of biomarkers in medicine has become a standard of care.

Energy based devices

Current devices that have retained value in the skin tightening arena include transcutaneous radiofrequency (RF) and microfocused ultrasound. Laser resurfacing can improve mild skin laxity but its best use is wrinkle removal and pigment and textural improvement. RF‐based subdermal tightening consistently achieves a higher measured skin surface contraction than alternatives such as ultrasound‐assisted or laser‐assisted liposuction. High‐intensity electromagnetic field (HIFEM) improves that framework that supports the overlying skin, as well as reducing diastasis recti. HIFEM can generate a 17.9% skin surface area contraction. A combination of transcutaneous RF and targeted pressure energy significantly reduces skin surface irregularities, cellulite, and striae while measurably thickening the dermis.

Injectables and biologiocals

Biologically based entries into the field include mechanically processed adipose‐derived stem cells, nanofat, and exosomes. Intradermal injection of nanofat and topical application of exosomes following microneedling can "resurface" skin by reversing many age related changes. A recently approved collagense drug can correct skin surface depressions such as cellulite, deformities following liposuction, and other areas of fibrosis.

Conclusion

Surgical skin excision has largely been replaced with minimally invasive and noninvasive alternatives. While energy based devices still dominate this field, biologicals are rapidly gaining ground. Substances that induce cell signaling can target cell senescence. The future of skin tightening will include treatment options that offer tightening, smoothing, dermal thickness improvement, hydration, and overall skin quality improvement.
Eating‐disorder psychopathology and driven exercise change models: A latent change score analysis
Authors: Chapa Danielle A. N. , Kite Benjamin A. , Forbush Kelsie T. , Tregarthen Jenna P. , Argue Stuart
Published: November 2020

Objective

Approximately 50% of people with eating disorders (EDs) engage in driven exercise to influence their weight or shape and/or to compensate for loss‐of‐control eating. When present, driven exercise is associated with a lower quality‐of‐life, longer hospital stays, and faster rates‐of‐relapse. Despite the seriousness of driven exercise, most treatments for EDs do not target maladaptive exercise behaviors directly. Given the large proportion of patients with an ED who engage in driven exercise and its effect on treatment outcomes, it is critical to understand what predicts change in driven exercise. The purpose of this study was to test whether ED symptoms prospectively predicted change in driven exercise and vice versa.

Method

Participants were Recovery Record (RR) users (N = 4,568; 86.8% female) seeking treatment for an ED. Participants completed the Eating Pathology Symptoms Inventory (EPSI) monthly for 3 months.

Results

In the full sample, dynamic bivariate latent change score analyses indicated that high levels of dietary restraint and restricting prospectively predicted reductions in driven exercise. Among persons with anorexia nervosa (AN), high levels of binge eating predicted increased driven exercise. Among persons with bulimia nervosa (BN), high levels of body dissatisfaction predicted increased driven exercise. Among persons with binge‐eating disorder (BED), high levels of binge eating, purging, and restricting predicted reductions in driven exercise.

Discussion

Results highlight changes that may predict increased or decreased driven exercise relative to other ED symptoms for AN, BN, and BED groups. These preliminary findings could inform future research on ED treatment efforts to manage driven exercise.
Light might suppress both types of sound‐evoked antipredator flight in moths
Authors: Hügel Theresa , Goerlitz Holger R.
Published: November 2020

Urbanization exposes wild animals to increased levels of light, affecting particularly nocturnal animals. Artificial light at night might shift the balance of predator–prey interactions, for example, of nocturnal echolocating bats and eared moths. Moths exposed to light show less last‐ditch maneuvers in response to attacking close‐by bats. In contrast, the extent to which negative phonotaxis, moths’ first line of defense against distant bats, is affected by light is unclear. Here, we aimed to quantify the overall effect of light on both types of sound‐evoked antipredator flight, last‐ditch maneuvers and negative phonotaxis. We caught moths at two light traps, which were alternately equipped with loudspeakers that presented ultrasonic playbacks to simulate hunting bats. The light field was omnidirectional to attract moths equally from all directions. In contrast, the sound field was directional and thus, depending on the moth's approach direction, elicited either only negative phonotaxis, or negative phonotaxis and last‐ditch maneuvers. We did not observe an effect of sound playback on the number of caught moths, suggesting that light might suppress both types of antipredator flight, as either type would have caused a decline in the number of caught moths. As control, we confirmed that our playback was able to elicit evasive flight in moths in a dark flight room. Showing no effect of a treatment, however, is difficult. We discuss potential alternative explanations for our results, and call for further studies to investigate how light interferes with animal behavior.
Prediction of penetration depth by laser welding using Hablanian plot method and linear multiple regression analysis
Authors: Heya Manabu , Funayama Hiroto , Tsuboi Akihiko , Tagawa Masao
Published: November 2020

In order to prove the validity of prediction of penetration depth using Hablanian plot, we have compared experimentally obtained penetration depths with those predicted by Hablanian plot and linear multiple regression analysis. The experimental results with ∼1200 data points were obtained from bead‐on‐plate welding tests by the laser job shop. Stainless steel plates and four types of industrial CW lasers were used in these tests. From linear multiple regression analysis, it was found that dominating factors were laser power, welding speed, and spot diameter. On the other hand, we can predict the penetration depth using the 3th‐degree polynomial fitting curve (standard curve) expressed by Hablanian plot with two dimensionless parameters. The fitting difference between the standard curve and a data point results in the error of prediction. From Hablanian plot, it showed (1) that this fitting difference was dependent on some factors (such as laser power, welding speed, power density, and penetration depth), (2) that the fitting difference was, respectively, negative and positive in the lower and middle welding speed ranges, and (3) that the penetration depth could be precisely predicted by correcting the fitting difference in welding speed from the standard curve compared to the results predicted by linear multiple regression analysis.
Cladding mode loss effect on transmission characteristics of mechanically induced long‐period fiber gratings
Authors: Tsutsumi Yasuhiro , Kitahara Kenta , Ohashi Masaharu , Kubota Hirokazu , Miyoshi Yuji , Yamashita Ikuo
Published: November 2020

In the mechanically induced long‐period fiber grating (MLPFG) fabricated by applying the periodical pressure on an optical fiber, the small bending occurs due to the periodical pressure, which influences the losses of the core and cladding modes. We propose the theoretical model of the MLPFG for estimating its transmittance based on the transfer matrix method and investigate the effect of the losses of the core and cladding modes in the MLPFG on the transmittance, theoretically and experimentally. We numerically clarify that the transmitted light spectrum of MLPFG shows only the main attenuation lobe, no side lobe, and the attenuation bandwidth is broadened as the cladding mode loss increases. We also clarify that the coupling coefficient, and the losses of the core and cladding modes in the fabricated MLPFG can be estimated from the measured transmitted spectrum based on our model. Moreover, we measure the transmittance of two types of MLPFGs that fabricated with a screw, weights, and metallic plates, and that fabricated with a screw and a heat‐shrinkable tube. The measured spectra show good agreements with the calculated ones using our model. Our model will be useful for designing MLPFGs applied to the sensors.
Social creativity: Reviving a social identity approach to social stability
Authors: van Bezouw Maarten Johannes , van der Toorn Jojanneke , Becker Julia Christina
Published: November 2020

Social Identity Theory (SIT) is commonly applied to explain social change. We aim to revive interest in the concept of social creativity in order to provide a SIT perspective on bolstering and challenging social stability. Social creativity allows people to maintain or achieve a positive social identity through re‐interpreting intergroup relations. Despite this crucial role in shaping intergroup comparisons, the causes and effects of social creativity are largely unknown. To understand how social creativity can contribute to social stability, we argue for a return to SIT's dynamic nature of constantly renegotiating intergroup relations, involving both higher‐ and lower‐status groups. Within these dynamics, we propose that social creativity can play the roles of coping with, promoting, and questioning social stability. Additionally, we outline a research agenda for future research on social creativity and discuss the impact that social stability can have in societies.
Manganese and graphene oxide composite as highly effective sulfur host for enlightening electrochemical kinetics of lithium‐sulfur batteries
Authors: Radhika Govindharaju , Rajkumar Palanisamy , Subadevi Rengapillai , Sivakumar Marimuthu
Published: November 2020

Lithium‐sulfur (Li‐S) batteries are deliberated as capable candidate in next generation of rechargeable batteries. It offers a significant specific capacity of 1675 mAh/g and high‐energy density (2600 Wh/kg). In this work, sulfur/MnO2/graphene oxide (GO) composite has been prepared by incorporating sulfur in different ratios with MnO2 and GO (10:20 and 20:10; SMG1 and SMG2) by solid state reaction and used as cathode for Li‐S battery. The obtained composites have been characterized for physical and electrochemical performances. The XRD spectrum display the sulfur is in orthorhombic structure and the presence of carbon has been confirmed by Raman analysis. The SMG2 composite with 70 wt% of sulfur displays a considerably embellished cycling performance (1610 mAh/g at an initial cycle at 0.1 C). The capacity and stability of the material is achieved by suppressing the polysulfides effectively. Low capacity fade, accommodation of volume change arising during cycling processes makes this positive electrode material competent for Li‐S battery application.
Computational investigation and screening of [1,2,4]triazolo[4,3‐b][1,2,4,5]tetrazine‐based high energy materials
Authors: Liu Luhao , Jin Xinghui , Zhou Jianhua , Hu Bingcheng
Published: November 2020

In the present work, some [1,2,4]triazolo[4,3‐b][1,2,4,5]tetrazine‐based high energy compounds were designed. The electronic structures, heats of formation (HOF), detonation velocities (D), detonation pressures (P), and thermal stabilities (BDEs) of the titled high energy materials were calculated at B3LYP/6‐311G (d,p) theoretical level of DFT method. Based on the calculated data, the frontier molecular orbital energy gaps were from 1.02 (B2) to 3.91 eV (A4), the values of HOF, D, P, and BDEs were from 1020.6 (A4) to 2286.3 kJ mol−1 (D2), from 6.52 (A1) to 9.44 km s−1 (D8), from 17.5 (A1) to 41.5 GPa (D8), and from 36.1 (D2) to 515.5 kJ mol−1 (B1), respectively. Take D, P, and BDEs into consideration, seven compounds (A8, B8, C8, D7, D8, E8, and F8) were screened as potential candidates for high energy materials due to their high detonation properties (D and P) and proper thermal stabilities. Finally, the electronic structures (such as distribution of frontier molecular orbitals and electrostatic potentials) were presented, which may provide a new research direction to high energy materials.
Effect of coupling phase change materials and heat pipe on performance enhancement of Li‐ion battery thermal management system
Authors: Yuan Qiuqi , Xu Xiaoming , Tong Guangyao , Ding Hua
Published: November 2020

A thermal management system (TMS) including heat pipes, heat‐conducting glue, phase change materials (PCM), and micro‐channel plates is built in this research. The heat pipes and heat‐conducting glue can solve the problem of poor thermal conductivity and large internal temperature difference (Td) of TMS including PCM and liquid cooling. The micro‐channel plates can solve the problem that TMS combined with the PCM and the heat pipes is difficult to transfer heat. The designed TMS can cool and heat li‐ion battery. Through the li‐ion battery discharge test experiment by 1C, 2C, and 3C, the li‐ion battery heating power is obtained. The temperature change curve of li‐ion batteries at 1C, 2C, 3C discharge and when ambient temperature (Ta) is −20°C, −10°C, 0°C, and 20°C are studied. When the Ta is lower than 0°C, the designed TMS can heat the li‐ion battery to 20°C, and make the Td inside the li‐ion batteries approach 0°C within a short period.
Large wood load fluctuations in an Andean basin
Authors: Picco Lorenzo , Scalari Cordelia , Iroumé Andrés , Mazzorana Bruno , Andreoli Andrea
Published: November 2020

The importance of monitoring and analysing wood fluxes in mountain environments is widely recognized. However, there is a lack of information related to the long‐term fluctuations in wood load and associated to the changes in large wood (LW) characteristics. The main aims of the research were to analyse (i) changes in wood characteristics, (ii) fluctuations in wood load, and (iii) the relationship between wood load and sub‐reach settings, proposing an ad hoc roughness index (RI). Repeated field surveys to measure wood load and LW characteristics during a 13‐year period were conducted within a 2.2 km‐long reach of the Rio Toro (Chile), which flows through the Malleco Forest National Reserve that was affected by wildfires in 2002 and 2015. Two spatial scales (i.e. study reach and sub‐reach) were considered. Irrespective of the adopted scale wood load fluctuated considerably, in both number and volume, with significant changes in LW characteristics (i.e. mean diameter and length). Moreover, a clear tendency to the aggregation in wood jams (WJs) was observed within the entire study reach. Based on our results, we conclude that 17 years after the first wildfire wood recruitment has started in the upper parts of the basin. Moreover, Generalized Linear Mixed Models (GLMM) analyses were carried out to investigate the relationship between RI and both number and volume of LW. Both models are characterized by high adjusted R2 of 74.9% and 72.8% for volume and number, respectively. This demonstrated that the RI can characterize the reaches in terms of tendency to deposition and trapping of wood. These results are promising, particularly in improving the knowledge related to potential deposition areas that can control wood load fluctuations, also permitting its management to be improved. © 2020 John Wiley & Sons, Ltd.
Controls of alluvial cover formation, morphology and bedload transport in a sinuous channel with a non‐alluvial boundary
Authors: Papangelakis E. , Welber M. , Ashmore P. , MacVicar B.
Published: November 2020

The alluvial cover in channels with non‐alluvial beds is a major morphologic feature in these rivers and has important geomorphic and ecologic functions. Although controls on the extent of the alluvial cover have been previously researched, little is known about the role of channel meanders in shaping the three‐dimensional morphology and bedload transport rates in these rivers. Flume experiments were conducted in a fixed‐bed sinuous channel scaled from an engineered urban river. A fully graded sediment supply mixture was fed into the bare channel at rates ranging between 0.3 and 1.2 times the estimated channel capacity under constant discharge. The three‐dimensional morphology and surface texture of the alluvial cover were captured using photogrammetry, and the sediment output was periodically measured and sieved. A stable alluvial cover was achieved under all sediment supply conditions that coincided with a sediment transport equilibrium. The sediment supply rate controlled the final areal extent, mass and volume of the alluvial cover, while cover developed as a periodic series of stable bars ‘fixed’ by the channel planform. The alluvial cover development followed consistent trajectories relative to angular position around bends but developed to a greater degree and higher elevation with increasing sediment supply. The stable cover extent had a logarithmic relationship with the relative sediment supply, while the final mass, volume and bar height had linear relationships. The final channel morphology was characterized by fine‐textured point bars with flat tops and steep margins connected by coarse riffle features. The outside of banks between bend apexes remained bare, even at sediment supply conditions exceeding the channel capacity. The length of the exposed outer banks followed predictable linear relationships with the total cover extent. Insights from this study can provide guidance for the management of channels with non‐alluvial boundaries and provide validation for models of sinuous bedrock channel abrasion. © 2020 John Wiley & Sons, Ltd.
Psychiatric hospital admission and later crime, mental health, and labor market outcomes
Authors: Landersø Rasmus , Fallesen Peter
Published: November 2020

Most OECD countries have downsized treatment capacity at psychiatric hospitals substantially. We investigate consequences of these reductions by studying how the decision whether to admit individuals in mental distress to a psychiatric hospital affects their subsequent crime, treatment trajectories, and labor market outcomes. To circumvent nonrandom selection into admission, we use a proxy of occupancy rates prior to a patient's first contact with a psychiatric hospital as an instrument. We find that admissions reduce criminal behavior, likely due to incapacitation, and predominantly for males and those with a criminal record. Furthermore, admission lowers patients' subsequent labor market attachment, likely because a psychiatric hospital admission is an eligibility criterion for welfare benefits.
The performance of the alarmin HMGB1 in pediatric diseases: From lab to clinic
Authors: Li Bo , Peng Xin , Li He , Chen Fei , Chen Yuxia , Zhang Yingqian , Le Kai
Published: November 2020

Introduction

The ubiquitously expressed nonhistone nuclear protein high‐mobility group box protein 1 (HMGB1) has different functions related to posttranslational modifications and cellular localization. In the nucleus, HMGB1 modulates gene transcription, replication and DNA repair as well as determines chromosomal architecture. When the post‐transcriptional modified HMGB1 is released into the extracellular space, it triggers several physiological and pathological responses and initiates innate immunity through interacting with its reciprocal receptors (i.e., TLR4/2 and RAGE). The effect of HMGB1‐mediated inflammatory activation on different systems has received increasing attention. HMGB1 is now considered to be an alarmin and participates in multiple inflammation‐related diseases. In addition, HMGB1 also affects the occurrence and progression of tumors. However, most studies involving HMGB1 have been focused on adults or mature animals. Due to differences in disease characteristics between children and adults, it is necessary to clarify the role of HMGB1 in pediatric diseases.

Methods and Results

Through systematic database retrieval, this review aimed to first elaborate the characteristics of HMGB1 under physiological and pathological conditions and then discuss the clinical significance of HMGB1 in the pediatric diseases according to different systems.

Conclusions

HMGB1 plays an important role in a variety of pediatric diseases and may be used as a diagnostic biomarker and therapeutic target for new strategies for the prevention and treatment of pediatric diseases.
The resilience of the U.S. banking system
Authors: Papadimitriou Theophilos , Gogas Periklis , Agrapetidou Anna
Published: November 2020

We investigate the resilience of the whole U.S. banking system (5,826 banks) over the period 2000–2018. In doing so, we employ a state‐of‐the‐art bank failure forecasting model (Gogas et al., 2018) and we uncover the evolution of the safety margin from failure for all individual U.S. banks and the banking sector as a whole every year. We provide evidence that in recent years a lower competition and new regulations widened the safety margin of the banking system, resulting in a healthier financial sector as banks become less in total number but act more prudently.
Regional integration and bilateral FDI stocks in the OECD
Authors: Barrell Ray , Nahhas Abdulkader
Published: November 2020

We examine factors affecting OECD bilateral Foreign Direct Investment (FDI) stocks over 1995–2016. We emphasize the effect of regional trade agreements, the European Union (EU) and the North American Free Trade Area (NAFTA). We find that EU membership is a significant determinant of FDI even when we condition on other gravity variables. The importance of robust economic institutions and freedoms is discussed, with implications for countries that are reducing such freedoms. European Integration has raised intra Single Market FDI by over 40%. The UK has no labour market or competitive environment advantage above the rest of the EU in attracting FDI, and it will lose stocks after departure. We show that distance matters, but the effect is declining slowly.
Effect of pre‐operative radiotherapy on long‐term outcomes among women with Stage IB1 to IIB cervical squamous cell carcinoma
Authors: Liu Ping , Dai Encheng , Li Weili , He Fangjie , Yang Rui , Bin Xiaonong , Lang Jinghe , Chen Chunlin
Published: November 2020

Objective

To compare long‐term outcomes between pre‐operative radiotherapy followed by open surgery and direct open surgery among women with Stage IB1–IIB cervical squamous cell carcinoma.

Methods

A multicenter retrospective cohort study among women with Stage IB1–IIB cervical squamous cell carcinoma who underwent open surgery either directly (SD group) or with pre‐operative radiotherapy (PR group) in China 2004–2016. Five‐year overall survival (OS) and disease‐free survival (DFS) between the two groups were compared by Kaplan–Meier methods and multivariate Cox regression.

Results

Overall, 8385 women with Stage IB1–IIB were included (PR group, n = 447; SD group, n = 7938). Five‐year OS and DFS was significantly lower in the PR than in the SD group (OS: 81.7% vs 91.6%, P < 0.001; DFS: 76.3% vs 86.7%, P < 0.001). As compared with direct surgery, pre‐operative radiotherapy was an independent risk factor for 5‐year OS (adjusted hazard raio [aHR], 1.75; 95% confidence interval [CI], 1.34–2.30) and DFS (aHR, 1.37; 95% CI, 1.09–1.73) by multivariate Cox regression. Sensitivity analyses confirmed the findings.

Conclusion

Among women with Stage IB1–IIB cervical squamous cell carcinoma, outcomes were found to be worse for those undergoing pre‐operative radiotherapy followed by open surgery than for those undergoing direct open surgery.
Association of pretreatment SUVmax of cervix and SCC‐antigen with FIGO2018 stage in Stage IIB–IVB squamous cervical cancer and relationship to prognosis
Authors: Shou Huafeng , Yasuo Yoshioka , Yuan Shuhui , Lou Hanmei , Ni Juan
Published: November 2020

Objective

To evaluate the association of pretreatment maximum standardized 18F‐fluorodeoxyglucose uptake value (SUVmax) of cervix and serum squamous cell carcinoma antigen (SCC‐ag) with FIGO2018 stage and prognosis among women with Stage IIB–IVB squamous cervical cancer.

Methods

Retrospective study of 116 women with FIGO2018 Stage IIB–IVB cervical cancer treated in Hangzhou, China, 2013–2015. The relationship between pretreatment SUVmax or SCC‐ag and prognostic factors was evaluated by univariate and multivariate analyses.

Results

Women were stratified by mean SUVmax and mean SCC‐ag. There was a significant difference between low (<12.9) and high (≥12.9) SUVmax groups in menopause (P = 0.004), FIGO2018 stage (P = 0.015), and survival rate (P < 0.001). The low group had better overall and progress‐free survival by Kaplan–Meier evaluation (both P = 0.022). High SCC‐ag (≥14.6 ng/mL) was associated with FIGO2018 stage (P = 0.038) and distant metastasis (P = 0.011). There was a significant correlation between SUVmax and serum SCC‐ag (P = 0.026). In multivariate Cox regression analyses, FIGO2018 stage (P = 0.019) and SUVmax of cervix (P = 0.015) were independent predictors of poor outcome in squamous cervical cancer.

Conclusion

Both SUVmax of cervix and SCC‐ag were associated with FIGO2018 stage in squamous cervical cancer. Pretreatment high SUVmax of cervix and advanced FIGO2018 stage might indicate a poor prognosis.
Silencing of lncRNA Gm14461 alleviates pain in trigeminal neuralgia through inhibiting astrocyte activation
Authors: Cai Jun , Yan Yi , Zhang Daying , Zhu Mengye , Wang Zhijian , Zhang Xuexue , Xu Mu
Published: November 2020

Our previous study showed that silencing of lncRNA Gm14461 alleviated pain in a murine model of trigeminal neuralgia (TN), but the molecular mechanism remains not fully understood. Evidence indicates that astrocyte activation and autophagy are involved in the development of TN. Herein, this study aimed to elucidate whether the pain‐relief effect of Gm14461 silencing in TN involved regulation of astrocyte activation and autophagy. A murine model of TN was induced by chronic constriction injury of the infraorbital nerve surgery. The mechanical withdrawal threshold (MWT) was measured to assess the analgesic effect of Gm14461 silencing. Mouse astrocytes were treated with lipopolysaccharide (LPS) as a cell model. Astrocyte activation was evaluated by glial fibrillary acidic protein (GFAP) immunofluorescence and western blot analysis of GFAP. Autophagy was evaluated by LC3 immunofluorescence and western blot analysis of autophagy‐related proteins. The results showed that Gm14461 silencing increased MWT value in TN model mice. Meanwhile, Gm14461 silencing inhibited astrocyte activation and enhanced autophagy in both TN mice and LPS‐treated astrocytes. The enhancement of autophagy by Gm14461 silencing involved the activation of the AMPK signaling and the suppression of the Akt/mTOR signaling. Collectively, the analgesic effect of Gm14461 silencing in TN was related to attenuation of astrocyte activation via enhancement of autophagy.