bluuebunny/crossref_metadata_2025 huggingface dataset:
The role of local bounds on neighborhoods in the network for scale‐free state synchronization of multi‐agent systems
Authors: Stoorvogel Anton A. , Saberi Ali , Liu Zhenwei
Published: July 2024

This article provides necessary and sufficient conditions for the existence of solutions to the state synchronization problem of homogeneous multi‐agent systems (MAS) via scale‐free linear dynamic non‐collaborative protocol in both continuous and discrete time. These conditions guarantee for which class of MAS, one can achieve scale‐free state synchronization. We investigate protocol design with and without utilizing local bounds on the neighborhood of agents. The results shows that the availability of local bounds on neighborhoods plays a key role.
Model‐free event‐triggered distributed coordination control for dual‐arm reconfigurable manipulators with unknown object constraints
Authors: Li Yuanchun , Fan Ruiming , Pan Qiang , An Tianjiao , Zhu Mingchao , Ma Bing
Published: July 2024

In this paper, a model‐free event‐triggered distributed coordination control of dual‐arm reconfigurable manipulators is presented for handling unknown object task. Firstly, based on Newton‐Euler algorithm and kinematic analysis, the dynamic models of the dual‐arm manipulators and grasped object are established, respectively. According to the load distribution method, the motion‐induced force is effectively distributed to each arm. Then the dynamics of single‐arm manipulator for handling task is obtained. Secondly, the adaptive algorithm based on gradient model is proposed to estimate the position of object's center of mass (COM). The fusion state variable function is improved to achieve coordination control, reflecting the tracking performance of the position and internal force. For the modeless reconfigurable manipulator, the radial basis function neural network (RBFNN)‐based observer is utilized to approximate the uncertain dynamics. Further, the aperiodic model‐free distributed coordination controller is obtained through event‐triggered mechanism. Next, the uniformly ultimately bounded (UUB) stability of dual‐arm reconfigurable manipulators system is proved through Lyapunov stability theory. Finally, the experimental results verify that the proposed coordination control approach is valid.
Developing a habitat suitability index with field data and hydraulic models
Authors: Harris Aubrey , Mulchandani Anjali , Stone Mark
Published: July 2024

Linking habitat availability with hydraulic models integrates river engineering in the ecological field. Field observation for species presence and physical habitat availability mapping is inherently limited due to time and access constraints for field data collection. This study leverages hydraulic modeling to supplement larval fish population monitoring data, effectively expanding mapped physical habitat and allowing for monitoring bias analysis. The inundation extents and character of streamflow from hydraulic modeling were used to refine habitat suitability indices relative to total habitat availability from discrete fish monitoring events. Given the flexibility in hydraulic modeling to simulate a range of flows, the habitat suitability index is then translated to an effective habitat curve according to areal inundation and hydrologic frequency. With this framework, forecasting the impacts of long‐term trends, such as geomorphic or hydrologic change, can be reasonably and quantitatively assessed. This manuscript uses a case study of Rio Grande silvery minnow monitoring at restoration sites where the floodplain has been lowered via earthwork. Comparisons are made for habitat suitability indices developed from field observation data alone and field observation supplemented by hydraulic modeling. Known biases of field sampling data (targeting slow, shallow areas where fish are most often found) were confirmed based on simulated hydraulic conditions across entire restoration sites. In the case of Rio Grande silvery minnow, a heavily studied species, such field monitoring biases are an effective use of resources. However, this framework may be helpful for assessing alternative management approaches and monitoring strategies of species that are less studied.
Illuminating Pathways to Dynamic Nanotribology: Light‐Mediated Active Control of Interfacial Friction with Nanosuspensions
Authors: Leidens Leonardo M. , Michels Alexandre F. , Machado Giovanna , Alvarez Fernando , Smirnov Alex I. , Krim Jacqueline , Figueroa Carlos A.
Published: July 2024

Active control of nanotribological properties is a challenge. Materials responsive to external stimuli may catalyze this paradigm shift. Recently, the nanofriction of a thin film is modulated by light, ushering in phototribology. This frontier is expanded here, by investigating photoactive nanoparticles in lubricants to confer similar functionality to passive surfaces. Quartz‐crystal microbalance (QCM) is employed to assess the phototribological behavior of aqueous suspensions of titanium dioxide nanoparticles. A comparison of dark and illuminated conditions provides the first demonstration of tuning the interfacial friction in solid‐nanosuspension interfaces by light. Cyclic tests reveal reversible transitions between higher (dark) and lower friction (illuminated) regimes. These transitions are underpinned by transient states with surface charge variations, as confirmed by Zeta potential measurements. The accumulated surface charge increases repulsion within the system and favors sliding. Upon cessation of illumination, the system returns to its prior equilibrium state. These findings impact not only nanotribology but nanofluidics and nanorheology. Furthermore, the results underscore the need to consider light‐induced effects in other scenarios, including the calculation of activity coefficients of photoactive suspensions. This multifaceted study introduces a new dimension to in operando frictional tuning, beckoning a myriad of applications and fundamental insights at the nanoscale.
Facile Synthesis of Hemin Derivatives with Modulated Aggregation Behaviour and Enhanced Nitric‐Oxide Scavenging Properties as New Therapeutics for Breast Cancer
Authors: Alsharabasy Amir M. , Cherukaraveedu Durgadas , Warneke Jonas , Warneke Ziyan , Galán‐Mascarós José Ramón , Glynn Sharon A. , Farràs Pau , Pandit Abhay
Published: July 2024

Nitric oxide (•NO) plays various pathophysiological roles in breast cancer, significantly influencing the migration of tumour cells through concentration gradients. Therefore, modulating •NO levels via selective scavenging presents a promising approach to treating aggressive •NO‐dependent cancers, such as triple‐negative breast cancer (TNBC). Hemin emerges as a potential scavenger of •NO; however, its metalloporphyrin molecules tend to aggregate in physiological solutions, which limits its biomedical applications. To address this, a modification strategy is employed to minimize aggregation and protect against physiological oxidative degradation while preserving •NO‐scavenging properties. This is achieved through a simple chemical transformation that involves hemin conjugation to aromatic residues, tyrosine, and tyramine via carbodiimide reactions. These derivatives exhibit altered electronic properties and oxidation potential compared to hemin, alongside reduced aggregation tendencies and retained •NO‐binding affinity in aqueous solutions. Furthermore, depending on the type of hemin derivative, there is an associated inhibition of TNBC cell migration. These model hemin compounds demonstrate varying •NO‐binding affinities and resistance levels to oxidative degradation and aggregation, offering insights into the design of •NO‐scavenging molecules with enhanced properties for cancer treatment.
Ion‐Dependent Stability of DNA Origami Nanostructures in the Presence of Photo‐Generated Reactive Oxygen Species
Authors: Rabbe Lukas , Garcia‐Diosa Jaime Andres , Grundmeier Guido , Keller Adrian
Published: July 2024

DNA origami nanostructures are promising carries for drug delivery applications. However, their limited stability under relevant conditions often presents a challenge. Herein, the structural stability of DNA origami nanostructures is investigated in a setting compatible with their application in photodynamic therapy (PDT). To this end, DNA origami triangles and six‐helix bundles (6HBs) are loaded with the clinically tested photosensitizer methylene blue, which upon irradiation with red light generates reactive oxygen species (ROS) that attack the DNA origami nanostructures. ROS‐induced structural damage is observed to depend on the ionic composition of the surrounding medium and becomes more severe at low ionic strength. Mg2+ ions can efficiently protect the DNA origami nanostructures from ROS‐induced damage and may even heal some of the damage obtained under Mg2+‐free conditions when added after irradiation. Finally, the employed DNA origami 6HBs are more resistant toward ROS‐induced structural damage than the triangles, which is attributed to their markedly different mechanical properties. These results thus provide some fundamental insights into the stabilizing role of DNA origami superstructure that may guide the selection or design of DNA origami nanocarriers with optimized stability for their application in PDT.
Lithicone‐Protected Lithium Metal Anodes for Lithium Metal Batteries with Nickel‐Rich Cathode Materials
Authors: Ahmed Ridwan A. , Carballo Kevin V. , Koirala Krishna P. , Zhao Qian , Gao Peiyuan , Kim Ju‐Myung , Anderson Cassidy S. , Meng Xiangbo , Wang Chongmin , Zhang Ji‐Guang , Xu Wu
Published: July 2024

The high energy density advantage of lithium (Li) metal batteries (LMBs) makes them increasingly desirable; however, problems such as strong reactivity and dendrite growth of Li metal anode limit their practical uses. In this work, a novel Li‐containing glycerol (LiGL) or lithicone protection layer on a 50 μm thick Li metal anode is employed for improving the performance of LMBs. This LiGL layer was accurately deposited via a molecular layer deposition (MLD) process at 150 °C, using lithium tert‐butoxide and glycerol as precursors. The as‐formed LiGL coating layer is highly tunable in its thickness by simply adjusting MLD cycles and shows a good stability and outstanding ionic transport properties. The LiGL layer is found to effectively mitigate side reactions and enhance cycling stability in both symmetric cells and full cells. Specifically, the LMBs with LiGL@Li anode of 400 MLD cycles and LiNi0.6Mn0.2Co0.2O2 cathode enable a capacity retention of ≈87%, much higher than ≈35% of the cells with bare Li after 200 cycles at a charge/discharge current density of 2.1 mA cm−2. This work paves a feasible way for practical LMBs with improved capacity and stability through applying an innovative protection layer on Li metal anodes.
Nanocarbon catalysts with co‐active S−P−C sites enhance metal‐free direct oxidation of alcohols
Authors: Meng Juan , Liu Huidong , Xu Jianing , Lou Yuhan , Sun Haixin , Jiang Bo , Liu Yongzhuang , Qin Hengfei , Dou Shuo , Yu Haipeng
Published: July 2024

In this study, a sulfur–phosphorus co‐doped nanocarbon (SPC) catalyst was synthesized using a straightforward one‐step colloidal carbonization method and demonstrated high performance in the metal‐free direct oxidation of alcohols to aldehydes. This metal‐free SPC catalyst showed exceptional efficiency, achieving a conversion rate of 90% for benzyl alcohol and a selectivity of 94% toward benzaldehyde within only 1 h at 130°C. Moreover, it displays exceptional cycle stability and a high turnover frequency (17.1 × 10−3 mol g−1 h−1). Theoretical analysis suggested that the catalyst's superior performance is attributed to the presence of unsaturated edge defects and S−P− moieties, which increase the density of states at the Fermi level, lower the band gap energy, and promote electron localization. Additionally, the doping introduces cooperative co‐active S−P−C sites, facilitating a synergistic multisite catalytic effect that lowers the energy barriers. These findings represent a significant advancement in the field of metal‐free direct alcohol oxidation.
Assessing the potential of camera traps for estimating activity pattern compared to collar‐mounted activity sensors: a case study on Eurasian lynx Lynx lynx in south‐eastern Norway
Authors: Iannino Elena , Linnell John D. C. , Devineau Olivier , Odden John , Mattisson Jenny , Horntvedt Thorsen Neri
Published: July 2024

The diel activity patterns of animals convey information about physiology, ecological niches and animal behaviour relevant for both applied conservation and more theoretical research. However, these patterns are challenging to study in the field. The current gold‐standard approach to quantify movements and activity patterns of medium to large wildlife species is to use global positioning systems (GPS) collars equipped with activity sensors (e.g. accelerometers). A more recent approach consists of inferring activity patterns from the time‐stamped pictures of wildlife obtained from camera traps now routinely used in wildlife monitoring projects. However, few studies have attempted to validate estimates of activity patterns obtained from camera traps against those obtained from activity sensors. In this study, we compared the diel activity pattern of the Eurasian lynx Lynx lynx inferred from detections by a network of over 300 camera traps active between 2010 and 2020, to activity patterns obtained from 18 GPS‐collared lynx (8 females, 10 males) equipped with 2‐axis accelerometer sensors, in the same area of southern Norway. Our results suggest that camera traps can be used to estimate diel activity curves that are comparable to those obtained from accelerometers. In our study, 75 detections were sufficient to approximate the diel activity pattern obtained from accelerometer. Subsampling indicated that a low number of detections results in a coarser approximation of the diel activity pattern.
Equivariant embedding of finite-dimensional dynamical systems
Authors: Gutman Yonatan , Levin Michael , Meyerovitch Tom
Published: July 2024

We prove an equivariant version of the classical Menger-Nöbeling theorem regarding topological embeddings: Whenever a group G acts on a finite-dimensional compact metric space X, a generic continuous equivariant function from X into $$([0,1]^r)^G$$

(

[
0
,
1
]

r

)

G

is a topological embedding, provided that for every positive integer N the space of points in X with orbit size at most N has topological dimension strictly less than $$\frac{rN}{2}$$

rN

2

. We emphasize that the result imposes no restrictions whatsoever on the acting group G (beyond the existence of an action on a finite-dimensional space). Moreover if G is finitely generated then there exists a finite subset $$F\subset G$$

F
⊂
G

so that for a generic continuous map $$h:X\rightarrow [0,1]^{r}$$

h
:
X
→

[
0
,
1
]

r

, the map $$ h^{F}:X\rightarrow ([0,1]^{r})^{F}$$

h
F

:
X
→

(

[
0
,
1
]

r

)

F

given by $$x\mapsto (f(gx))_{g\in F}$$

x
↦

(
f

(
g
x
)

)

g
∈
F

is an embedding. This constitutes a generalization of the Takens delay embedding theorem into the topological category.
Breast density effect on the sensitivity of digital screening mammography in a UK cohort
Authors: Payne Nicholas R. , Hickman Sarah E. , Black Richard , Priest Andrew N. , Hudson Sue , Gilbert Fiona J.
Published: July 2024

Objectives

To assess the performance of breast cancer screening by category of breast density and age in a UK screening cohort.

Methods

Raw full-field digital mammography data from a single site in the UK, forming a consecutive 3-year cohort of women aged 50 to 70 years from 2016 to 2018, were obtained retrospectively. Breast density was assessed using Volpara software. Examinations were grouped by density category and age group (50–60 and 61–70 years) to analyse screening performance. Statistical analysis was performed to determine the association between density categories and age groups. Volumetric breast density was assessed as a binary classifier of interval cancers (ICs) to find an optimal density threshold.

Results

Forty-nine thousand nine-hundred forty-eight screening examinations (409 screen-detected cancers (SDCs) and 205 ICs) were included in the analysis. Mammographic sensitivity, SDC/(SDC + IC), decreased with increasing breast density from 75.0% for density a (p = 0.839, comparisons made to category b), to 73.5%, 59.8% (p = 0.001), and 51.3% (p < 0.001) in categories b, c, and d, respectively. IC rates were highest in the densest categories with rates of 1.8 (p = 0.039), 3.2, 5.7 (p < 0.001), and 7.9 (p < 0.001) per thousand for categories a, b, c, and d, respectively. The recall rate increased with breast density, leading to more false positive recalls, especially in the younger age group. There was no significant difference between the optimal density threshold found, 6.85, and that Volpara defined as the b/c boundary, 7.5.

Conclusions

The performance of screening is significantly reduced with increasing density with IC rates in the densest category four times higher than in women with fatty breasts. False positives are a particular issue for the younger subgroup without prior examinations.

Clinical relevance statement

In women attending screening there is significant underdiagnosis of breast cancer in those with dense breasts, most marked in the highest density category but still three times higher than in women with fatty breasts in the second highest category.

Key Points

Breast density can mask cancers leading to underdiagnosis on mammography.

Interval cancer rate increased with breast density categories ‘a’ to ‘d’; 1.8 to 7.9 per thousand.

Recall rates increased with increasing breast density, leading to more false positive recalls.
Shifts from surface density compensation to projected warming, freshening and stronger stratification in the subpolar North Atlantic
Authors: Marsh Robert , Dey Dipanjan , Lenn Yueng-Djern , Roberts Emyr Martyn
Published: July 2024

The hydrography and stratification of the subpolar North Atlantic is highly variable, with convection activating and deactivating across parts of the Labrador and Irminger seas. Likely consequential for the Atlantic Meridional Overturning Circulation (AMOC), this variability is examined in an eddy-rich ocean model hindcast spanning 1958–2021 and in 1950–2050 simulations with four climate models, spanning differences in ocean resolution (eddy-rich or eddy-permitting), code and implementation. Stratification of the Labrador and Irminger seas is quantified with the Potential Energy Anomaly (PEA) in the upper 1000 m of the water column. Monthly PEA anomalies are evaluated alongside corresponding anomalies of sea surface temperature, salinity, and density. For 30-year windows, moving correlations between PEA and surface properties are obtained over the 100-year simulations to characterize the evolving relationships. As climate change progresses, stratification in three of the four models is increasingly associated with variable surface salinity, in both regions. Lagrangian analyses of surface flow pathways in the decades preceding 1990 and 2040 are undertaken for one of the models in which surface salinity grows in influence. The subpolar presence of low-salinity Arctic waters and high-salinity subtropical Atlantic waters are found to increase and decrease respectively by 2040. Furthermore, in three of the four models, surface density compensation associated with correlation of surface temperature and salinity anomalies is progressively replaced by combined surface warming and freshening, lowering surface density, and strengthening stratification. The extent of these model-dependent changes and processes are of consequence for the projected fate of the AMOC by the mid twenty-first century.
Bile lakes in patients with biliary atresia who presented with jaundice-free native liver survival indicating the risk of subsequent liver transplantation due to various factors
Authors: Gohda Yousuke , Uchida Hiroo , Sumida Wataru , Shirota Chiyoe , Tainaka Takahisa , Makita Satoshi , Satomi Miwa , Yasui Akihiro , Kato Daiki , Maeda Takuya , Ishii Hiroki , Ota Kazuki , Guo Yaohui , Liu Jiahui , Hinoki Akinari
Published: July 2024

Purpose

The prognostic factors of subsequent liver transplantation (LT) in patients with biliary atresia (BA) who presented with jaundice-free native liver survival were investigated.

Methods

This study retrospectively reviewed patients who underwent portoenterostomy (PE) for BA. Patients with jaundice-free native liver survival at 1 year postoperatively were divided into the autologous liver survivor and liver transplant recipient groups. Peri- and postoperative data were compared between the two groups.

Results

Among 97 patients with BA, 29 who received LT within 1 year after PE were excluded from the analysis. Further, 48 patients currently living with native liver and 20 who received LT after 1 year postoperatively were compared. Bile lake (BL) was the strongest risk factor of LT. The risk score was $$2.38*BLscore+0.00466*TBA$$

2.38

∗
B
L
s
c
o
r
e
+
0.00466

∗
T
B
A

, and the area under the receiver operating characteristic curve was 0.83. Patients with BL and those without significantly differed in terms of the native liver survival rate. Patients with BL who presented with not only cholangitis but also gastrointestinal hemorrhage and hepatopulmonary syndrome received LT.

Conclusion

BL can cause different pathologies. Moreover, it is an evident risk factor of subsequent LT in patients with BA who are living with native liver at 1 year after PE.
Transition from hospital to nursing home: Discharge planners as a potential lever for quality improvements?
Authors: Kast Kristina , Carl Lukas
Published: July 2024

Background

Public reporting is supposed to be helpful in differentiating between well and poorly performing nursing homes; however, hospital patients often have difficulties to deal with quality information. Discharge planners (DP) can support them in comparing quality and, by influencing patients’ decision, lead to better provision of care in nursing homes.

Objective

This study investigated the choice behavior of DP, their use of quality information and the potential to impact the decision-making of patients.

Material and methods

A total of 70 DP from German hospitals with a geriatric department participated in an online survey. They were asked about information preferences and tools used for nursing home searches. In addition, they assessed quality information items from the new German quality reporting on a Likert scale. To test their comprehension participants were given a case scenario of a typical patient, were shown nursing homes displayed based on a medical comparison portal navigator (AOK-Pflegenavigator) and were asked to select nursing homes in a 3-round experiment.

Results

When looking for a nursing home, DP primarily rely on internal nursing home directories (n = 62; 92.5%). The 3 preferred criteria for decision are: distance to the family (n = 55; 28.80%), bed availability (n = 51; 26.7%) and wishes of patients/relatives (n = 41; 21.47%). The consent score for public reporting was 46.28% and the comprehension ratio was 82.24%.

Discussion

The DP do not advise hospital patients on the performance of nursing homes and rely on the decision-making of patients. This results in a lack of impact on patients’ decisions and consequently in a loss of potential for public reporting to lead to better care in nursing homes.
Regularized Stein Variational Gradient Flow
Authors: He Ye , Balasubramanian Krishnakumar , Sriperumbudur Bharath K. , Lu Jianfeng
Published: July 2024

The stein variational gradient descent (SVGD) algorithm is a deterministic particle method for sampling. However, a mean-field analysis reveals that the gradient flow corresponding to the SVGD algorithm (i.e., the Stein Variational Gradient Flow) only provides a constant-order approximation to the Wasserstein gradient flow corresponding to the KL-divergence minimization. In this work, we propose the Regularized Stein Variational Gradient Flow, which interpolates between the Stein Variational Gradient Flow and the Wasserstein gradient flow. We establish various theoretical properties of the Regularized Stein Variational Gradient Flow (and its time-discretization) including convergence to equilibrium, existence and uniqueness of weak solutions, and stability of the solutions. We provide preliminary numerical evidence of the improved performance offered by the regularization.
Macro-micro decomposition for consistent and conservative model order reduction of hyperbolic shallow water moment equations: a study using POD-Galerkin and dynamical low-rank approximation
Authors: Koellermeier Julian , Krah Philipp , Kusch Jonas
Published: July 2024

Geophysical flow simulations using hyperbolic shallow water moment equations require an efficient discretization of a potentially large system of PDEs, the so-called moment system. This calls for tailored model order reduction techniques that allow for efficient and accurate simulations while guaranteeing physical properties like mass conservation. In this paper, we develop the first model reduction for the hyperbolic shallow water moment equations and achieve mass conservation. This is accomplished using a macro-micro decomposition of the model into a macroscopic (conservative) part and a microscopic (non-conservative) part with subsequent model reduction using either POD-Galerkin or dynamical low-rank approximation only on the microscopic (non-conservative) part. Numerical experiments showcase the performance of the new model reduction methods including high accuracy and fast computation times together with guaranteed conservation and consistency properties.
Assessment of bio-medical waste disposal techniques using interval-valued q-rung orthopair fuzzy soft set based EDAS method
Authors: Zulqarnain Rana Muhammad , Naveed Hamza , Askar Sameh , Deveci Muhammet , Siddique Imran , Castillo Oscar
Published: July 2024

Selecting an optimum technique for disposing of biomedical waste is a frequently observed obstacle in multi-attribute group decision-making (MAGDM) problems. The MAGDM is commonly applied to tackle decision-making states originated by obscurity and vagueness. The interval-valued q-rung orthopair fuzzy soft set is a novel variant of fuzzy sets. The main objective of this study is to introduce the interval-valued q-rung orthopair fuzzy soft Einstein-ordered weighted and Einstein hybrid weighted aggregation operators. Based on developed aggregation operators, a novel decision-making approach, the Evaluation based on the Distance from the Average Solution introduced to solve the MAGDM problem. The execution of the proposed approach demonstrates the significant impact of determining the most effective strategy to handle biomedical waste. Our proposed approach's practicality is confirmed by a case study focusing on selecting the most effective technique for Biomedical Waste (BMW) treatment. This study shows that autoclaving is the most effective method for the disposal of BMW. Comparative and sensitivity analysis confirms the consistency and effectiveness of our methodology. The comparative study indicates the effects of the proposed strategy are more feasible and realistic than the prevailing techniques.
HRM’s Response to Workplace Bullying: Complacent, Complicit and Compounding
Authors: Boddy Clive R. , Boulter Louise
Published: July 2024

Perceptions of human resource (HRM) management’s response to worker bullying were investigated through a netnographic analysis of written comments concerning an online ‘TEDx’ talk called “Bullying and Corporate Psychopaths at Work” to help determine whether HRM are seen as supportive of bullied workers. This research utilized a qualitative, ethnographic approach deemed to be highly valid in researching sensitive areas such as that of workplace bullying. Findings align with, deepen, and extend previous theory and knowledge in that a key finding that emerges is that HRM is deemed by workers to be capable of, but unwilling to deal effectively with, bullying managers. HRM are seen as complacent in that they do little about psychopathic bullies, complicit in that they support managerial bullies and compounding in that they worsen outcomes from workers’ point of view. It appears that HRM has therefore lost the trust of this sample of bullied workers. The paper is a first to apply a netnographic analysis to the problem of workplace bullying and reveals HRM fails to deal with it to worker’s satisfaction. Implications include that the ubiquitous prevalence of workplace bullying around the world could continue unabated unless strict, clear codes of conduct are established and policed by HRM or non-HRM related forms of intervention are mobilized.
What Drives Carbon Emissions in German Manufacturing: Scale, Technique or Composition?
Authors: Rottner Elisa , von Graevenitz Kathrine
Published: July 2024

Emissions of local pollutants from industry have declined across many developed countries over the last decades. For carbon emissions such reductions have yet to materialize. Using German administrative micro-data at the product level, we apply the workhorse model for decomposing emission changes into scale, composition (changes in the mix of goods produced) and technology (emission factors of production) effects. We find that the production composition in German manufacturing shifted towards less CO2 intensive goods, while emission intensities of production increased. We show that data aggregation matters. Both effects are substantially underestimated when using data at the sector level as compared to the product level. A complementary plant level decomposition reveals that emission intensities of production increased both within plant, and due to a reallocation of production to more emission intensive plants.
A Hidden Convexity of Nonlinear Elasticity
Authors: Singh Siddharth , Ginster Janusz , Acharya Amit
Published: July 2024

A technique for developing convex dual variational principles for the governing PDE of nonlinear elastostatics and elastodynamics is presented. This allows the definition of notions of a variational dual solution and a dual solution corresponding to the PDEs of nonlinear elasticity, even when the latter arise as formal Euler–Lagrange equations corresponding to non-quasiconvex elastic energy functionals whose energy minimizers do not exist. This is demonstrated rigorously in the case of elastostatics for the Saint-Venant Kirchhoff material (in all dimensions), where the existence of variational dual solutions is also proven. The existence of a variational dual solution for the incompressible neo-Hookean material in 2-d is also shown. Stressed and unstressed elastostatic and elastodynamic solutions in 1 space dimension corresponding to a non-convex, double-well energy are computed using the dual methodology. In particular, we show the stability of a dual elastodynamic equilibrium solution for which there are regions of non-vanishing length with negative elastic stiffness, i.e. non-hyperbolic regions, for which the corresponding primal problem is ill-posed and demonstrates an explosive ‘Hadamard instability;’ this appears to have implications for the modeling of physically observed softening behavior in macroscopic mechanical response.
Harmonious environmental passion and voluntary pro-environmental behavior at home and at work: a moderated mediation model to examine the role of cultural femininity
Authors: Saifulina Nailya , Carballo-Penela Adolfo , Ruzo-Sanmartín Emilio
Published: July 2024

Employees’ pro-environmental behavior can contribute to reduce organizations environmental impact, improving organizational sustainability. The primary objective of this work is to highlight the mechanisms that stimulate employees’ voluntary pro-environmental behavior at work (Wpeb), paying attention to the role of harmonious environmental passion, private life voluntary pro-environmental behavior (PLpeb) and contextual factors as national culture. The model was analysed empirically by collecting data from 331 Kazakhstani and Ecuadorian bank employees. Covariance-based structural equation modelling (CB_SEM) is used to test the proposed relationships. Our findings demonstrate that harmonious environmental passion is positively related to Wpeb, and this relationship is mediated by PLpeb. In addition, the results show that cultural femininity strengthens the direct effects of harmonious environmental passion on PLpeb and Wpeb. These findings will help managers to promote such pro-environmental behaviors at work in different cultural contexts through the implementation of various practices inducing the atmosphere that stimulates the development of environmental passion.
A physically-informed machine learning model for freeform bending
Authors: Lechner Philipp , Scandola Lorenzo , Maier Daniel , Hartmann Christoph , Rizaiev Yevgen , Lieb Mona
Published: July 2024

This work aims at a fast computational process model of the free-form bending process. It proposes a novel physically-informed machine learning model, which is trained with experimental data of bending constant radii and utilizes additional physical bending knowledge by integrating Timoshenko’s beam theory. The model is able to predict the resulting plastic deformation of the tube after exiting the die by computing an elastic representation of the tube’s deformation with beam theory at each time step. This elastic representation serves as input for a regression model similar to a partially connected neural network. This physically-informed machine learning model generalizes the constant training radii to complex bend geometries consisting of transitional sections and true spline geometries. It is compared to a benchmark finite element simulation and has an improved prediction quality for complex kinematics while reducing the computation time by four orders of magnitude.
Sustainable and multifunctional polyurethane green composites with renewable materials
Authors: Bartczak Przemysław , Szylińczuk Kacper , Tomaszczak Maciej , Borysiak Sławomir
Published: July 2024

Polyurethane materials are characterised by an ever-expanding range of application possibilities due to their versatility. Currently, the management of leftovers as well as post-production and post-consumer waste for the production of biocomposites is one of the most obvious, effective and profitable solutions. Due to the renewable nature of biofillers such as cellulose, lignin, and chitin, their use to obtain composite polyurethane elastomers is a real perspective for the dissemination of more environmentally friendly materials and, at the same time, contributes to additional economic profit. The key aspect for further development of the polyurethane/biopolymer biocomposite concept is to fulfil of a number of currently functioning industry standards, mainly those regarding functional properties. In the presented research, an attempt to obtain advanced polyurethane elastomers with the addition of biopolymers (cellulose, lignin, and chitin) was conducted for the first time. The innovative biocomposites obtained in this way were characterised by good processing parameters (processing times, density) and improved functional properties compared to the standard without the addition of fillers (abrasion resistance, tensile strength, contact angle, hardness). Due to the above-mentioned facts, the described biocomposites can be successfully used for the production of multifunctional elastomeric materials with a wide range of potential applications. Moreover, it is worth noting that the management of waste materials in this way will reduce production costs while indirectly contributing to the protection of the natural environment.

Graphical abstract
Zinc-doped hexaferrite exhibits altered physical properties in the presence of both Dy and Zn ions
Authors: Ramadan Rania
Published: July 2024

The nanosized M-type hexaferrites SrFe11.5Zn0.5O19, Sr0.95Dy0.05Fe12O19, and Sr0.95Dy0.05Fe11.5Zn0.5O19 were produced by auto combustion utilizing citric acid. The impacts of substituting Zn2+ as well as Dy3+ ions upon the structural, electrical, magnetic, and optical properties of SrFe11.5Zn0.5O19, Sr0.95Dy0.05Fe12O19 and Sr0.95Dy0.05Fe11.5Zn0.5O19 nanoferrites have been studied using XRD, FTIR, UV–Visible, FESEM, VSM, and LCR meter. The formation of a single-phase lattice was confirmed by the XRD analyses. For the investigated samples, the crystallite size rose from 36 nm for SrFe11.5Zn0.5O19 to 37 and 33 nm, for Sr0.95Dy0.05Fe12O19, and Sr0.95Dy0.05Fe11.5Zn0.5O19 respectively. In FTIR spectra, a couple of absorption bands have been seen. The prepared samples possess a strong tendency to clump together into large masses, according to FSEM. The samples’ band gap values vary from 1.8 to 2.4 eV. Additionally, the dielectric parameters based on a Maxwell–Wagner two-layer approach have also been described. The results reveal that the dielectric constant (ε’) as well as dielectric loss (ε’’) decrease with increasing applied field frequency, whereas the AC conductivity (σac) increases. The VSM results show that all the investigated materials are referred to as hard magnetic materials.
Do Social Sciences Threaten the Autonomy of Ethics? Reconstructing the Marxian Metaethical Response
Authors: Dimitrakos Thodoris
Published: July 2024

In the present paper, I attempt to provide a reconstructed Marxian response to the question of whether the social (and behavioral) sciences constitute a philosophical threat to the autonomy of ethics. I suggest that shedding light on some aspects of the Marxian work (especially the Theses on Feuerbach), from the standpoint of the debate on naturalism in contemporary analytic philosophy, can offer valuable philosophical insights against the framework of scientific naturalism. This framework is responsible for presenting the social sciences as a philosophical threat to the autonomy of ethics. I argue that Marx detects and rejects three fundamental presuppositions of scientific naturalism: empiricism, ‘God’s point of view,’ and methodological individualism. I conclude that the Marxian view is a liberal naturalist perspective which allows both the scientific comprehension of the social world and the autonomy of ethics.
Effects of Defects on the Properties of Polymer Nanocomposites: A Brief Review
Authors: Folorunso Oladipo , Hamam Yskandar , Sadiku Rotimi , Kupolati Williams
Published: July 2024

Polymer nanocomposites are promising materials for various applications in the electronics, biomedicine, and aerospace industries. However, the fabrication errors or defects, e.g., induced porosity, significantly impact the performance and the reliability of devices fabricated from polymer nanocomposites. Hence, this study has comprehensively carried out an investigation into the effects of defects on the properties of photovoltaic active cells, biomimetic scaffold, and aircraft structures that are fabricated by using polymer nanocomposites. Agglomeration is another defect that degrades the intended properties of polymer nanocomposite devices. For photovoltaic devices, defects can be controlled by the selective modification of organic semiconductor molecular structures. In addition, proper optimization of the process parameters and the material selection, are effective approaches for obtaining excellent photovoltaic cells. Furthermore, the presence of impurities, a non-homogeneous mixture of organic and inorganic materials, and the incomplete solubility of nanoparticles, are detrimental factors that affect the cell proliferation performance of biomimetic scaffolds. These technological imperfections must be also avoided when producing parts for aircraft structures. In other words, impurities introduced during the synthesis or processing stages can lead to irregularities in the material structure, which often affect its mechanical, electrical, biomedical, and optical properties. The understanding and mitigating of these factors are crucial for the optimization of the properties and performance of polymer nanocomposites in various applications.
Theoretical Studies on Off-Axis Phase Diagrams and Knight Shifts in UTe$$_2$$: Tetra-Critical Point, d-Vector Rotation, and Multiple Phases
Authors: Machida Kazushige
Published: July 2024

Inspired by recent remarkable sets of experiments on UTe$$_2$$

2

: discoveries of the fourth horizontal internal transition line running toward a tetra-critical point (TCP) at H = 15 T, the off-axis high-field phases, and abnormally large Knight shift (KS) drop below $$T_\textrm{c}$$

T
c

for $$H \parallel a$$

H
‖
a

-magnetic easy axis, we advance further our theoretical work on the field (H)-temperature (T) phase diagram for $$H \parallel b$$

H
‖
b

-magnetic hard axis which contains a positive sloped $$H_\textrm{c2}$$

H
c2

departing from TCP. A nonunitary spin-triplet pairing with three components explains these experimental facts simultaneously and consistently by assuming that the underlying normal electron system with a narrow bandwidth characteristic to the Kondo temperature $$\sim$$
∼
30 K unsurprisingly breaks the particle-hole symmetry. This causes a special invariant term in Ginzburg–Landau (GL) free energy functional which couples directly with the 5f magnetic system, giving rise to the $$T_\textrm{c}$$

T
c

splitting and ultimately to the positive sloped $$H_\textrm{c2}$$

H
c2

and the horizontal internal transition line connected to TCP. The large KS drop can be understood in terms of this GL invariance whose coefficient is negative and leads to a diamagnetic response where the Cooper pair spin is antiparallel to the applied field direction. The present scenario also accounts for the observed d-vector rotation phenomena and off-axis phase diagrams with extremely high $$H_\textrm{c2}$$

H
c2

$$\gtrsim$$
≳
70 T found at angles in between the b- and c-axes and between the bc-plane and a-axis, making UTe$$_2$$

2

a fertile playground for a possible topological superconductor.
Identification and Design of Novel Potential Antimicrobial Peptides Targeting Mycobacterial Protein Kinase PknB
Authors: Deka Hemchandra , Pawar Atul , Battula Monishka , Ghfar Ayman A. , Assal Mohamed E. , Chikhale Rupesh V.
Published: July 2024

Antimicrobial peptides have gradually gained advantages over small molecule inhibitors for their multifunctional effects, synthesising accessibility and target specificity. The current study aims to determine an antimicrobial peptide to inhibit PknB, a serine/threonine protein kinase (STPK), by binding efficiently at the helically oriented hinge region. A library of 5626 antimicrobial peptides from publicly available repositories has been prepared and categorised based on the length. Molecular docking using ADCP helped to find the multiple conformations of the subjected peptides. For each peptide served as input the tool outputs 100 poses of the subjected peptide. To maintain an efficient binding for relatively a longer duration, only those peptides were chosen which were seen to bind constantly to the active site of the receptor protein over all the poses observed. Each peptide had different number of constituent amino acid residues; the peptides were classified based on the length into five groups. In each group the peptide length incremented upto four residues from the initial length form. Five peptides were selected for Molecular Dynamic simulation in Gromacs based on higher binding affinity. Post-dynamic analysis and the frame comparison inferred that neither the shorter nor the longer peptide but an intermediate length of 15 mer peptide bound well to the receptor. Residual substitution to the selected peptides was performed to enhance the targeted interaction. The new complexes considered were further analysed using the Elastic Network Model (ENM) for the functional site’s intrinsic dynamic movement to estimate the new peptide’s role. The study sheds light on prospects that besides the length of peptides, the combination of constituent residues equally plays a pivotal role in peptide-based inhibitor generation. The study envisages the challenges of fine-tuned peptide recovery and the scope of Machine Learning (ML) and Deep Learning (DL) algorithm development. As the study was primarily meant for generation of therapeutics for Tuberculosis (TB), the peptide proposed by this study demands meticulous invitro analysis prior to clinical applications.

Graphical Abstract
Scaling issues in the study of livestock depredation by carnivores
Authors: Slovikosky Sandy A. , Petracca Lisanne S. , Hunter Luke T. B. , Frair Jacqueline L.
Published: July 2024

Context

Many studies have documented the magnitude and socioecological drivers of livestock depredation, yet few have assessed how observations of depredation might vary with spatiotemporal scale. Understanding scaling relationships may allow for more accurate aggregation of observations collected across diverse extents and resolutions to better inform management actions.

Objectives

Herein we examine how reported metrics of livestock depredation varied by spatial and temporal scale (extent and resolution) after controlling for other drivers of differences among studies.

Methods

From 213 published studies we extracted conflict metrics (i.e., number of animals killed, number of attack incidents, and percent annual loss of stock) and regressed each against spatiotemporal extent (i.e., size of study area, duration of study) and resolution (i.e., minimum mapping unit, frequency of observations) while controlling for potential biases.

Results

The number of attacks or animals killed was positively related to spatial and temporal extent whereas percent annual loss of stock declined with extent. Further, the effects of scaling variables were modified through interactions with other factors (e.g., human density) known to influence human-carnivore conflict. The data available for spatiotemporal resolution were too sparse to draw conclusions. While scaling relationships were generally linear, they became increasingly noisy at broader extents.

Conclusions

Consistent with other ecological investigations, the scale of observation influenced the observed outcomes in human-carnivore conflict metrics. Authors should report the spatiotemporal dimensions of their observations to improve robust inference in comparative studies. Enhanced understanding of scaling relationships in human-carnivore conflict metrics should improve strategic allocation of resources to better mitigate future conflict.
Environmental Care: How Marine Scientists Relate to Environmental Changes
Authors: Schönbauer Sarah Maria
Published: July 2024

Marine scientists have reported drastic environmental changes in marine and polar regions as a result of climate change. The changes range from species compositions in coastal regions and the deep-sea floor, the degradation of water and ice quality to the ever-growing plastic pollution affecting marine habitats. Marine scientists study these changes in their fieldwork, and communicate their findings in scientific publications. Some also rally in protests for the necessity of political programs to tackle changes. Based on ethnographic visits and interviews with marine scientists, this study examines how marine scientists experience and act on environmental changes as individuals and as collectives. In order to analyze their experiences and actions, I use the notion of care and portray care in different times and spaces, from work to protest. I demonstrate how care needs to be situated in different times and spaces, how care is embedded in a complex relationship of institutional requirements and structural demands that researchers experience, but also how care receives institutionalization and has an impact on research interests and agendas. In doing so, I show the social and epistemic consequences of care, opening up a view of individual and collective care in the marine sciences.