bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular Interactions and Forces that Make Proteins Stable: A Quantitative Inventory from Atomistic Molecular Dynamics Simulations
Authors: Galano-Frutos Juan José , Sancho Javier 
Published: January 2023

AbstractProtein design requires a deep control of protein folding energetics, which can be determined experimentally on a case-by-case basis but is not understood in sufficient detail. Calorimetry, protein engineering and biophysical modeling have outlined the fundamentals of protein stability, but these approaches face difficulties in elucidating the specific contributions of the intervening molecules and elementary interactions to the folding energy balance. Recently, we showed that, using Molecular Dynamics (MD) simulations of native proteins and their unfolded ensembles, one can calculate, within experimental error, the enthalpy and heat capacity changes of the folding reaction. Analyzing MD simulations of four model proteins (CI2, barnase, SNase and apoflavodoxin) whose folding enthalpy and heat capacity changes have been successfully calculated, we dissect here the energetic contributions to protein stability made by the different molecular players (polypeptide and solvent molecules) and elementary interactions (electrostatic, van der Waals and bonded) involved. Although the proteins analyzed differ in length (65-168 amino acid residues), isoelectric point (4.0-8.99) and overall fold, their folding energetics is governed by the same quantitative pattern. Relative to the unfolded ensemble, the native conformation is enthalpically stabilized by comparable contributions from protein-protein and solvent-solvent interactions, and it is nearly equally destabilized by interactions between protein and solvent molecules. From the perspective of elementary physical interactions, the native conformation is stabilized by van de Waals and coulombic interactions and is destabilized by bonded interactions. Also common to the four proteins, the sign of the heat capacity change is set by protein-solvent interactions or, from the alternative perspective, by coulombic interactions.
Autofluorescence lifetime imaging classifies human lymphocyte activation and subtype
Authors: Schmitz Rebecca L. , Tweed Kelsey E. , Rehani Peter , Samimi Kayvan , Riendeau Jeremiah , Jones Isabel , Maly Elizabeth M. , Guzman Emmanuel Contreras , Forsberg Matthew H. , Shahi Ankita , Capitini Christian M. , Walsh Alex J. , Skala Melissa C. 
Published: January 2023

AbstractNew non-destructive tools are needed to reliably assess lymphocyte function for immune profiling and adoptive cell therapy. Optical metabolic imaging (OMI) is a label-free method that measures the autofluorescence intensity and lifetime of metabolic cofactors NAD(P)H and FAD to quantify metabolism at a single-cell level. Here, we investigate whether OMI can resolve metabolic changes between human quiescent versus IL4/CD40 activated B cells and IL12/IL15/IL18 activated memory-like NK cells. We found that quiescent B and NK cells were more oxidized compared to activated cells. Additionally, the NAD(P)H mean fluorescence lifetime decreased and the fraction of unbound NAD(P)H increased in the activated B and NK cells compared to quiescent cells. Machine learning classified B cells and NK cells according to activation state (CD69+) based on OMI parameters with up to 93.4% and 92.6% accuracy, respectively. Leveraging our previously published OMI data from activated and quiescent T cells, we found that the NAD(P)H mean fluorescence lifetime increased in NK cells compared to T cells, and further increased in B cells compared to NK cells. Random forest models based on OMI classified lymphocytes according to subtype (B, NK, T cell) with 97.8% accuracy, and according to activation state (quiescent or activated) and subtype (B, NK, T cell) with 90.0% accuracy. Our results show that autofluorescence lifetime imaging can accurately assess lymphocyte activation and subtype in a label-free, non-destructive manner.TeaserLabel-free optical imaging can assess the metabolic state of lymphocytes on a single-cell level in a touch-free system.
Lagrange multiplier optimization method for high current–low frequency inductor design
Authors: Marques Hugo dos Santos , Borges Maria Beatriz 
Published: January 2023

Purpose
This paper aims to overcome the lack of methodologies for optimizing the volume of bulky low-frequency inductors that the authors came across with when working on the design of hybrid active power filters. Sound work was published concerning this well-known technology, but it became evident that the mentioned optimization topic was left unaddressed.

Design/methodology/approach
Using the Lagrange multipliers optimization method combined with the electromagnetic laws of inductor design, it was possible to establish a new design method to determine the optimal solutions that fulfil any given scenario of specifications. In other words, it is now possible to obtain the inductor’s geometric and electric parameters that not only satisfy the system’s electromagnetic requirements but also lead to smaller, lighter or economical solutions.

Findings
A generalized set of equations was obtained to facilitate the calculations of all the inductor-building parameters. As expected, these equations take as inputs the inductor’s required inductance, its maximum current and the desired resistance, but also a customizable cost function. The later cost function will optimize the inductor’s volumes of copper and iron and can be settled, among other purposes, for minimizing the total weight, volume or cost.

Originality/value
All the mathematical expressions to obtain the general optimal solutions are given as well as practical graphics for the three above-mentioned optimization criteria. Using these charts, the reader will be able to obtain by simple inspection the optimal solutions for a large, generalized universe of intended specifications.
Adaptive mesh refinement for finite element analysis of elastic buckling disturbance of circularly curved beams due to multiple micro-cracks damage
Authors: Wang Yongliang 
Published: January 2023

PurposeThis study aimed to overcome the challenging issues involved in providing high-precision eigensolutions. The accurate prediction of the buckling load bearing capacity under different crack damage locations, sizes and numbers, and analysing the influence mechanism of crack damage on buckling instability have become the needs of theoretical research and engineering practice. Accordingly, a finite element method was developed and applied to solve the elastic buckling load and buckling mode of curved beams with crack damage. However, the accuracy of the solution depends on the quality of mesh, and the solution inevitably introduces errors due to mesh. Therefore, the adaptive mesh refinement method can effectively optimise the mesh distribution and obtain high-precision solutions.Design/methodology/approachFor the elastic buckling of circular curved beams with cracks, the section damage defect analogy scheme of a circular arc curved beam crack was established to simulate the crack size (depth), position and number. The h-version finite element mesh adaptive analysis method of the variable section Euler–Bernoulli beam was introduced to solve the elastic buckling problem of circular arc curved beams with crack damage. The optimised mesh and high-precision buckling load and buckling mode solutions satisfying the preset error tolerance were obtained.FindingsThe results of testing typical examples show that (1) the established section damage defect analogy scheme of circular arc curved beam crack can effectively realise the simulation of crack size (depth), position and number. The solution strictly satisfies the preset error tolerance; (2) the non-uniform mesh refinement in the algorithm can be adapted to solve the arbitrary order frequencies and modes of cracked cylindrical shells under the conditions of different ring wave numbers, crack positions and crack depths; and (3) the change in the buckling mode caused by crack damage is applicable to the study of elastic buckling under various curved beam angles and crack damage distribution conditions.Originality/valueThis study can provide a novel strategy for the adaptive mesh refinement for finite element analysis of elastic buckling of circular arc curved beams with crack damage. The adaptive mesh refinement method established in this study is fundamentally different from the conventional finite element method which employs the user experience to densify the meshes near the crack. It can automatically and flexibly generate a set of optimised local meshes by iteratively dividing the fine mesh near the crack, which can ensure the high accuracy of the buckling loads and modes. The micro-crack in curved beams is also characterised by weakening the cross-sectional stiffness to realise the characterisation of locations, depths and distributions of multiple crack damage, which can effectively analyse the disturbance behaviour of different forms of micro-cracks on the dynamic behaviour of beams.
Assessing the effect of domestic and foreign R&D on export: empirical evidence from China
Authors: Rauf Abdul , Bao Yongwen 
Published: January 2023

PurposeAlthough the theoretical arguments provide several channels through which innovation affects export, empirical validation of this relationship is scarce. Further, the impact of the diverse channels of domestic and foreign research and development (R&D) on export is assessed in isolation by previous studies. This paper empirically investigates the impact of technological innovation on export capacity and intensity of industrial enterprises in emerging countries by considering three channels of domestic innovation and foreign R&D spillovers, namely internal R&D, embodied knowledge and disembodied knowledge in a unified framework.Design/methodology/approachData on China's industrial enterprises in the manufacturing sector are extracted from the China National Bureau of Statistics (NBSC), the Ministry of Science and Technology of China (MST) and the UN Comtrade database for the period from 1998 to 2020. The instrumental variables two-stage least squares (IV-2SLS) and three-stage least squares (IV-3SLS) methods are used to control for the possible endogeneity bias and the problem of cross-equation correlation between residuals.FindingsThe results show that internal R&D is a critical factor to enhance the export performance of enterprises in emerging countries, while the effect of embodied spillovers and public–private collaboration on export capacity and intensity of industrial enterprises is substantial. Further, disembodied knowledge that is acquired through licensing of technology from advanced countries does not directly contribute to the export performance of enterprises but requires a threshold level of internal R&D capability. This study’s results also report a greater effect of embodied knowledge spillovers on export capacity and export intensity than internal R&D in emerging countries. The results are consistent to changes in the sample period and the estimation methods. The findings of the paper suggest that developing countries can speed up the process of export upgrading by relying on both domestic and foreign R&D efforts.Practical implicationsThe findings would help policymakers to keep in mind the relative importance of internal R&D and embodied and disembodied knowledge spillovers for export performance before formulating a catch-up strategy and the outcome would encourage them to consider prior related knowledge in terms of internal R&D capability while acquiring external technology.Originality/valueThis study fills the gap in the existing literature by providing empirical validation of the innovation–export interplay and simultaneously assessing the effect of three diverse channels of technological innovation on the export performance of industrial enterprises. This paper enunciates important policy lessons for emerging countries' smooth transition to a knowledge-based economy.
Proposing a new loan recommendation framework for loan allocation strategies in online P2P lending
Authors: Rong Yuting , Liu Shan , Yan Shuo , Huang Wei Wayne , Chen Yanxia 
Published: January 2023

PurposeLenders in online peer-to-peer (P2P) lending platforms are always non-experts and face severe information asymmetry. This paper aims to achieve the goals of gaining high returns with risk limitations or lowering risks with expected returns for P2P lenders.Design/methodology/approachThis paper used data from a leading online P2P lending platform in America. First, the authors constructed a logistic regression-based credit scoring model and a linear regression-based profit scoring model to predict the default probabilities and profitability of loans. Second, based on the predictions of loan risk and loan return, the authors constructed linear programming model to form the optimal loan portfolio for lenders.FindingsThe research results show that compared to a logistic regression-based credit scoring method, the proposed new framework could make more returns for lenders with risks unchanged. Furthermore, compared to a linear regression-based profit scoring method, the proposed new framework could lower risks for lenders without lowering returns. In addition, comparisons with advanced machine learning techniques further validate its superiority.Originality/valueUnlike previous studies that focus solely on predicting the default probability or profitability of loans, this study considers loan allocation in online P2P lending as an optimization research problem using a new framework based upon modern portfolio theory (MPT). This study may contribute theoretically to the extension of MPT in the specific context of online P2P lending and benefit lenders and platforms to develop more efficient investment tools.
Laughter, mental health and cancer: a case study of Ros Ben-Moshe
Authors: Ben-Moshe Ros , Gonot-Schoupinsky Freda 
Published: January 2023

Purpose
The purpose of this paper is to meet Ros Ben-Moshe, a cancer survivor – or rather thriver – and lecturer in positive psychology at La Trobe University, describes how she uses laughter to boost levity and mental health.

Design/methodology/approach
This case study is divided into two parts: an autoethnographic life story of Ros Ben-Moshe, followed by 10 questions and answers.

Findings
Regular laughter is an enjoyable way to stimulate the feel-good chemicals dopamine, oxytocin, serotonin and endorphins. A laughter mindset is an important tool for overall wellbeing. It can help build connections and re-frame negative situations.

Research limitations/implications
This is a personal narrative and gives the perspective of one person who harnessed the benefits of laughter following a cancer diagnosis.

Practical implications
Laughter can be used strategically to reset our internal mindset and prime ourselves towards optimal mental health and wellbeing, even while struggling with serious health issues. Research into how and when to prescribe laughter for mental health and overall wellbeing is therefore of interest.

Social implications
Social laughter is important and rewarding. For those anxious about social laughter, finding people to laugh with who do not judge you is recommended, as are affirmations to lessen anxiety.

Originality/value
To the best of the authors’ knowledge, this is the first case study and interview with a cancer survivor on the topic of laughter, cancer and mental health.
Positive addiction recovery for an online audience: implementation design and user evaluation
Authors: Ogilvie Lisa , Prescott Julie 
Published: January 2023

Purpose
The positive addiction recovery website (https://positiveaddictionrecovery.com) has been created following a successful pilot study of a programme of work known as positive addiction recovery therapy (PART). The aim of the website is to disseminate PART to an online audience, extending its reach to a larger population. The purpose of this study is to explain the process of creating this online resource and to conduct a user evaluation to understand how well received the website is likely to be to its target audience.

Design/methodology/approach
An implementation framework cognisant of positive computing, positive technology, contemporary understanding of human–computer interaction and knowledge acquired from the delivery of eHealth interventions from the past decade was used to create the website. To understand user opinion of the resultant website, data were collected using the mobile application ratings scale user version.

Findings
By adopting a tailored implementation framework, with appropriate determinant factors of wellbeing and evidenced theoretical input, a website resource was created that users considered engaging and informative. The findings also suggest that participants appreciated the importance of intended behavioural change, having interacted with the interventions on the website.

Originality/value
To the best of the authors’ knowledge, the website is the first online version of PART, a new programme of work aimed at people in addiction recovery.
Health behaviours and COVID‐19 prevention among immigrants in the United States
Authors: Thomas Kevin J. A. 
Published: January 2023

AbstractRecent studies indicate that the COVID‐19 pandemic has had negative implications for the welfare of immigrant communities. However, few studies have examined the behavioural responses used by immigrants to respond to the spread of the virus. This study uses data from the U.S.‐based COVID‐19 in American Communities study to examine whether there are disparities in the use of COVID‐19 prevention behaviours between first‐generation immigrants (i.e., foreign‐born persons), second‐generation immigrants (i.e., U.S.‐born persons with at least one immigrant parent), and third‐generation individuals (i.e., U.S.‐born persons with only U.S.‐born parents). The results indicate that recent first‐generation immigrants and second‐generation immigrants use the behaviours recommended to prevent the spread of COVID‐19 less intensively compared to third‐generation individuals. Furthermore, increased exposure to U.S. society is found to have a non‐linear relationship with the intense use of these behaviours. Results from the analysis of each preventive behaviour show that there are larger gaps between immigrants and U.S. natives in the use of frequent hand washing and comparatively smaller gaps in the practice of avoiding large crowds. However, the most consistent pattern of low use of COVID‐19 prevention behaviours was found among recently arrived first‐generation immigrants.
Does agricultural official development assistance facilitate foreign direct investment in agriculture: Evidence from 63 developing countries
Authors: Tian Junyan 
Published: January 2023

AbstractAlthough past studies have separately explored the direct impact of agriculture official development assistance (ODA) and foreign development investment (FDI) on agricultural production, the nexus between these two elements is often neglected. This article aims to understand the linkage between agricultural ODA and FDI, using data from 63 developing countries from 1991 to 2019. Poisson pseudo maximum likelihood estimations reveal that agricultural ODA considerably promotes FDI in the agriculture, fishery and forestry sectors (FDI_aff) by approximately 0.5%, while its impact on FDI in the food, beverages and tobacco industries (FDI_fbt) is overall insignificant. Geographical and ecological conditions play a decisive role in accounting for FDI in agriculture. While coastal and land‐rich countries receive a significantly higher amount of FDI_aff and FDI_fbt, tropical countries are evidently more attractive destinations for FDI_fbt. The empirical analysis also shows that a peaceful social environment encourages FDI_aff. Well‐established legal systems and reductions in corruption facilitate FDI_aff, whereas the impact of overall institutional quality on agricultural FDI is insignificant. Results suggest that donors prioritise agricultural initiatives with higher positive spillover effects, such as programmes supporting food crop production and agricultural research.
Sourcing high tissue quality brains from deceased wild primates with known socio‐ecology
Authors: Gräßle Tobias , Crockford Catherine , Eichner Cornelius , Girard‐Buttoz Cédric , Jäger Carsten , Kirilina Evgeniya , Lipp Ilona , Düx Ariane , Edwards Luke , Jauch Anna , Kopp Kathrin S. , Paquette Michael , Pine Kerrin ,   EBC Consortium, Haun Daniel B. M. , McElreath Richard , Anwander Alfred , Gunz Philipp , Morawski Markus , Friederici Angela D. , Weiskopf Nikolaus , Leendertz Fabian H. , Wittig Roman M. 
Published: January 2023

Abstract

The selection pressures that drove dramatic encephalisation processes through the mammal lineage remain elusive, as does knowledge of brain structure reorganisation through this process. In particular, considerable structural brain changes are present across the primate lineage, culminating in the complex human brain that allows for unique behaviours such as language and sophisticated tool use. To understand this evolution, a diverse sample set of humans' closest relatives with varying socio‐ecologies is needed. However, current brain banks predominantly curate brains from primates that died in zoological gardens. We try to address this gap by establishing a field pipeline mitigating the challenges associated with brain extractions of wild primates in their natural habitat.

The success of our approach is demonstrated by our ability to acquire a novel brain sample of deceased primates with highly variable socio‐ecological exposure and a particular focus on wild chimpanzees. Methods in acquiring brain tissue from wild settings are comprehensively explained, highlighting the feasibility of conducting brain extraction procedures under strict biosafety measures by trained veterinarians in field sites.

Brains are assessed at a fine‐structural level via high‐resolution MRI and state‐of‐the‐art histology. Analyses confirm that excellent tissue quality of primate brains sourced in the field can be achieved with a comparable tissue quality of brains acquired from zoo‐living primates.

Our field methods are noninvasive, here defined as not harming living animals, and may be applied to other mammal systems than primates. In sum, the field protocol and methodological pipeline validated here pose a major advance for assessing the influence of socio‐ecology on medium to large mammal brains, at both macro‐ and microstructural levels as well as aiding with the functional annotation of brain regions and neuronal pathways via specific behaviour assessments.