bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploring Jahn-Teller distortions: a local vibrational mode perspective
Authors: Quintano Mateus , Moura Renaldo T. , Kraka Elfi 
Published: March 2024

Abstract
The characterization of normal mode (CNM) procedure coupled with an adiabatic connection scheme (ACS) between local and normal vibrational modes, both being a part of the Local Vibrational Mode theory developed in our group, can identify spectral changes as structural fingerprints that monitor symmetry alterations, such as those caused by Jahn-Teller (JT) distortions. Employing the PBE0/Def2-TZVP level of theory, we investigated in this proof-of-concept study the hexaaquachromium cation case, $$[\text {Cr}{(\text {OH}_{2})}_{6}]^{3+}$$

[
Cr

(

OH
2

)

6

]

3
+

/$$[\text {Cr}(\text {OH}_{2})_{6}]^{2+}$$

[
Cr

(

OH
2

)

6

]

2
+

, as a commonly known example for a JT distortion, followed by the more difficult ferrous and ferric hexacyanide anion case, $$[\text {Fe}{(\text {CN})}_{6}]^{4-}$$

[
Fe

(
CN
)

6

]

4
-

/$$[\text {Fe}{(\text {CN})}_{6}]^{3-}$$

[
Fe

(
CN
)

6

]

3
-

. We found that in both cases CNM of the characteristic normal vibrational modes reflects delocalization consistent with high symmetry and ACS confirms symmetry breaking, as evidenced by the separation of axial and equatorial group frequencies. As underlined by the Cremer-Kraka criterion for covalent bonding, from $$[\text {Cr}{(\text {OH}_{2})}_{6}]^{3+}$$

[
Cr

(

OH
2

)

6

]

3
+

to $$[\text {Cr}{(\text {OH}_{2})}_{6}]^{2+}$$

[
Cr

(

OH
2

)

6

]

2
+

there is an increase in axial covalency whereas the equatorial bonds shift toward electrostatic character. From $$[\text {Fe}{(\text {CN})}_{6}]^{4-}$$

[
Fe

(
CN
)

6

]

4
-

to $$[\text {Fe}{(\text {CN})}_{6}]^{3-}$$

[
Fe

(
CN
)

6

]

3
-

we observed an increase in covalency without altering the bond nature. Distinct $$\pi $$
π
back-donation disparity could be confirmed by comparison with the isolated $$\text {CN}^{-}$$

CN
-

system. In summary, our study positions the CNM/ACS protocol as a robust tool for investigating less-explored JT distortions, paving the way for future applications.

Graphical abstract
The adiabatic connection scheme relates local to normal modes, with symmetry breaking giving rise to axial and equatorial group local frequencies
Cost awareness among intensivists in their daily clinical practice: a prospective multicentre study
Authors: Lehut Timothée , Lambert Céline , Mortier Romain , Futier Emmanuel , Chabanne Russell , Bauer Ulrich , Verdier Philippe , Ravan Ramin , Ocquidant Philippe , Mourgues Charline , Lautrette Alexandre 
Published: March 2024

Abstract
Background
Better cost-awareness is a prerogative in achieving the best benefit/risk/cost ratio in the care. We aimed to assess the cost-awareness of intensivists in their daily clinical practice and to identify factors associated with accurate estimate of cost (50–150% of the real cost).

Methods
We performed a prospective observational study in seven French ICUs. We compared the estimate of intensivists of the daily costs of caring with the real costs on a given day. The estimates covered five categories (drugs, laboratory tests, imaging modalities, medical devices, and waste) whose sum represented the overall cost.

Results
Of the 234 estimates made by 65 intensivists, 70 (29.9%) were accurate. The median overall cost estimate (€330 [170; 620]) was significantly higher than the real cost (€178 [124; 239], p < 0.001). This overestimation was found in four categories, in particular for waste (€40 [15; 100] vs. €1.1 [0.6; 2.3], p < 0.001). Only the laboratory tests were underestimated (€65 [30; 120] vs. €106 [79; 138], p < 0.001). Being aware of the financial impact of prescriptions was factor associated with accurate estimate (OR: 5.05, 95%CI:1.47–17.4, p = 0.01). However, feeling able to accurately perform estimation was factor negatively associated with accurate estimate (OR: 0.11, 95%CI: 0.02–0.71, p = 0.02).

Conclusion
French intensivists have a poor awareness of costs in their daily clinical practice. Raising awareness of the financial impact of prescriptions, and of the cost of laboratory tests and waste are the main areas for improvement that could help achieve the objective of the best care at the best cost.
Fundamental Theorem of Asset Pricing under fixed and proportional costs in multi-asset setting and finite probability space
Authors: Zastawniak Tomasz 
Published: March 2024

AbstractThe Fundamental Theorem of Asset Pricing is extended to a market model over a finite probability space with many assets that can be exchanged into one another under combined fixed and proportional transaction costs. The absence of arbitrage in this setting is shown to be equivalent to the existence of a family of absolutely continuous single-step probability measures and a multi-dimensional martingale with respect to such a family.
Adaptive Machine Learning Approach for Importance Evaluation of Multimodal Breast Cancer Radiomic Features
Authors: Del Corso Giulio , Germanese Danila , Caudai Claudia , Anastasi Giada , Belli Paolo , Formica Alessia , Nicolucci Alberto , Palma Simone , Pascali Maria Antonietta , Pieroni Stefania , Trombadori Charlotte , Colantonio Sara , Franchini Michela , Molinaro Sabrina 
Published: March 2024

AbstractBreast cancer holds the highest diagnosis rate among female tumors and is the leading cause of death among women. Quantitative analysis of radiological images shows the potential to address several medical challenges, including the early detection and classification of breast tumors. In the P.I.N.K study, 66 women were enrolled. Their paired Automated Breast Volume Scanner (ABVS) and Digital Breast Tomosynthesis (DBT) images, annotated with cancerous lesions, populated the first ABVS+DBT dataset. This enabled not only a radiomic analysis for the malignant vs. benign breast cancer classification, but also the comparison of the two modalities. For this purpose, the models were trained using a leave-one-out nested cross-validation strategy combined with a proper threshold selection approach. This approach provides statistically significant results even with medium-sized data sets. Additionally it provides distributional variables of importance, thus identifying the most informative radiomic features. The analysis proved the predictive capacity of radiomic models even using a reduced number of features. Indeed, from tomography we achieved AUC-ROC $$89.9\%$$

89.9
%

using 19 features and $$92.1\%$$

92.1
%

using 7 of them; while from ABVS we attained an AUC-ROC of $$72.3\%$$

72.3
%

using 22 features and $$85.8\%$$

85.8
%

using only 3 features. Although the predictive power of DBT outperforms ABVS, when comparing the predictions at the patient level, only 8.7% of lesions are misclassified by both methods, suggesting a partial complementarity. Notably, promising results (AUC-ROC ABVS-DBT $$71.8\%$$

71.8
%

-$$74.1\%$$

74.1
%

) were achieved using non-geometric features, thus opening the way to the integration of virtual biopsy in medical routine.
Factors Influencing Tobacco Smoking and Cessation Among People Living with HIV: A Systematic Review and Meta-analysis
Authors: Hoang Thanh H. L. , Nguyen Van M. , Adermark Louise , Alvarez Gloria G. , Shelley Donna , Ng Nawi 
Published: March 2024

AbstractTobacco smoking is highly prevalent among people living with HIV (PLWH), yet there is a lack of data on smoking behaviours and effective treatments in this population. Understanding factors influencing tobacco smoking and cessation is crucial to guide the design of effective interventions. This systematic review and meta-analysis of studies conducted in both high-income (HICs) and low- and middle-income countries (LMICs) synthesised existing evidence on associated factors of smoking and cessation behaviour among PLWH. Male gender, substance use, and loneliness were positively associated with current smoking and negatively associated with smoking abstinence. The association of depression with current smoking and lower abstinence rates were observed only in HICs. The review did not identify randomised controlled trials conducted in LMICs. Findings indicate the need to integrate smoking cessation interventions with mental health and substance use services, provide greater social support, and address other comorbid conditions as part of a comprehensive approach to treating tobacco use in this population. Consistent support from health providers trained to provide advice and treatment options is also an important component of treatment for PLWH engaged in care, especially in LMICs.
A Bounded Below, Noncontractible, Acyclic Complex Of Projective Modules
Authors: Positselski L. 
Published: March 2024

AbstractWe construct examples of bounded below, noncontractible, acyclic
complexes of finitely generated projective modules over some rings S,
as well as bounded above, noncontractible, acyclic complexes of
injective modules.
The rings S are certain rings of infinite matrices with entries in
the rings of commutative polynomials or formal power series in
infinitely many variables.
In the world of comodules or contramodules over coalgebras over
fields, similar examples exist over the cocommutative symmetric
coalgebra of an infinite-dimensional vector space.
A simpler, universal example of a bounded below, noncontractible,
acyclic complex of free modules with one generator, communicated to
the author by Canonaco, is included at the end of the paper.
Performance-based versus conventional seismic design: comparative assessment on a 4-story RC moment frame
Authors: Chatzidaki Akrivi , Vamvatsikos Dimitrios , Hernández-Montes Enrique 
Published: March 2024

AbstractFive different design approaches are compared on a single mid-rise reinforced concrete building, pitting two performance-based designs against three conventional methods in delivering a solution that satisfies different sets of performance objectives. Two of the conventional designs stem from the literature, and they represent 2003 IBC compatible solutions. Another employs the yield point spectra to deliver a code-like solution, satisfying the design norms without needing iterations. The final two are based on the yield frequency spectra to offer a design that can satisfy more detailed performance objectives in a single step. Overall, all five methods are shown to deliver what is expected. Conventional methods can safely capture the code requirements, yet they are disadvantaged when treading in beyond-life-safety territory, where Immediate Occupancy or Collapse Prevention objectives cannot be easily satisfied, a problem that is not shared by performance-based approaches.
Disentangling effects of multiple agricultural stressors on benthic and hyporheic nitrate uptake
Authors: Pasqualini Julia , Graeber Daniel , Bartusch Alexander , Kümmel Steffen , Hernandez Zulma Lorena Duran , Musat Niculina , Sunjidmaa Nergui , Weitere Markus , Brauns Mario 
Published: March 2024

AbstractAgricultural land use alters nitrate (NO3–) uptake dynamics in streams, but the specific mechanisms linking individual agricultural stressors to benthic and hyporheic uptake remain unclear. Using stream-side mesocosms and 15N-nitrate additions, we examined the individual and combined effects of fine sediment (FS) and augmented light and phosphorus levels (L&P) on benthic and hyporheic NO3– uptake rates. In absence of FS, L&P stimulated uptake of autotrophic and heterotrophic biofilms, leading to a 12- and 7-fold increase in the benthic and hyporheic compartments, respectively. Under ambient light and nutrient conditions, FS reduced by 3-fold benthic uptake, but effects were not significant. Conversely, in the hyporheic compartment, FS induced anoxic conditions, likely stimulating denitrification and causing a 14-fold increase in hyporheic uptake. When these stressors were combined, they did not interact in the benthic compartment. Conversely, in the hyporheic compartment they interacted antagonistically, with L&P diminishing the increase in uptake induced by FS. Our results indicate that the previously observed increase of whole-stream NO3– uptake in agricultural streams is attributable to nutrients and light stimulating benthic uptake, while fine sediment effects and the role of the hyporheic compartment to total uptake are modest. Moreover, the finding that stressor interactions vary with ecosystem compartments calls for a consideration of all compartments and their contribution to whole-system functioning in multiple stressor studies. We are beginning to understand how multiple interacting stressors affect stream functioning, but more mechanistic evidence is needed to disentangle whether additive or non-additive effects prevail in human-altered ecosystems.
Sustainable indigenous bio-mixture for restoration the soil point source pollution with special reference to chlorpyrifos
Authors: Mansee Ayman H. , Ebrahim Amal M. , Koreish Essam A. 
Published: March 2024

AbstractImproper pesticide handling is the main cause of contamination of the environment in agricultural systems. This could be caused by leakage of spraying liquid, leftovers, and inappropriate washing of spraying equipment. This study assessed the ability of suggested biomixture modules for remediate repetitive cycles of high chlorpyrifos doses. In three consecutive treatments, four tested modules were contaminated with 160 µg g−1 chlorpyrifos. Chlorpyrifos residues, dehydrogenase activity, and microbial respiration were continuously monitored for 22 weeks. Six bacterial consortia were isolated at the end of the experiment from four treated modules (B+3, BF+3, S+3, and SF+3) and two from untreated modules (B and S). The isolated consortium efficiency in degrading chlorpyrifos was studied. The results revealed that the best chlorpyrifos removal efficiency was achieved when using the stimulated biomixture module (BF) recorded 98%, 100%, and 89%, at the end of three chlorpyrifos treatments, respectively. Such removal efficiency was compatible with the biological activity results of the tested modules: dehydrogenase activity and microbial respiration. There was no difference in the efficiency among the S, B, and BF+3 consortia. The results presented here demonstrate that the combination of vermicompost, wheat straw, soil, and NPK (stimulated biomixture module) can successfully reduce the risk of a point source of pesticide pollution.
Estimation of the addition of fly ash and its environmental impact in the manufacture of cement pastes
Authors: Alonso Juan D. , Gaviria Ximena , López Julián E. , Saldarriaga Juan F. 
Published: March 2024

AbstractThe cement industry is one of those that consumes the most energy, due to the high temperatures required to produce this material, and it is also one of the most that generates high CO2 emissions. In this work, the addition of sugarcane ash, bituminous coal and hazardous residues in cement pastes were evaluated. For this, cement pastes were produced in accordance with ASTM C305, from which the test specimens were prepared to analyze compressive strength and parallel to this, metal leaching tests were performed using the SPLP procedure. Following this, the reactivity of the fly ash in the cement pastes was evaluated by means of thermogravimetric tests. The different analyzes were carried out at the ages of 1, 3, 7, 14, 28, 56, 90 and 180 days. The ashes were characterized by XRF, XRD, and laser grain size, where the SiO2 and Al2O3 contents in the cane and bituminous coal ash were relatively high, contrary to what was obtained in the treated and untreated hazardous waste ash. These results are quite innovative because there are few works using HW in the literature. Cements with CAN, BIT, and THW5 were found to show equivalent and even superior compressive strength performance when compared to control. This work can be used as a guide and an inspiration for policymakers who want to apply this kind of material in the cement sector and promote evidence-based decisions and regulations.
K3 surfaces with two involutions and low Picard number
Authors: Festi Dino , Nijgh Wim , Platt Daniel 
Published: March 2024

AbstractLetXbe a complex algebraic K3 surface of degree 2dand with Picard number$$\rho $$ρ. Assume thatXadmits two commuting involutions: one holomorphic and one anti-holomorphic. In that case,$$\rho \ge 1$$ρ≥1when$$d=1$$d=1and$$\rho \ge 2$$ρ≥2when$$d \ge 2$$d≥2. For$$d=1$$d=1, the first example defined over$${\mathbb {Q}}$$Qwith$$\rho =1$$ρ=1was produced already in 2008 by Elsenhans and Jahnel. A K3 surface provided by Kondō, also defined over$${\mathbb {Q}}$$Q, can be used to realise the minimum$$\rho =2$$ρ=2for all$$d\ge 2$$d≥2. In these notes we construct new explicit examples of K3 surfaces over the rational numbers realising the minimum$$\rho =2$$ρ=2for$$d=2,3,4$$d=2,3,4. We also show that a nodal quartic surface can be used to realise the minimum$$\rho =2$$ρ=2for infinitely many different values ofd. Finally, we strengthen a result of Morrison by showing that for any even latticeNof rank$$1\le r \le 10$$1≤r≤10and signature$$(1,r-1)$$(1,r-1)there exists a K3 surfaceYdefined over$${\mathbb {R}}$$Rsuch that$${{\,\textrm{Pic}\,}}Y_{\mathbb {C}}={{\,\textrm{Pic}\,}}Y \cong N$$PicYC=PicY≅N.
How Do Secondary-School Teachers Design STEM Teaching–Learning Sequences? A Mixed Methods Study for Identifying Design Profiles
Authors: Grimalt-Álvaro Carme , López-Simó Víctor , Tena Èlia 
Published: March 2024

AbstractDue to the increasing presence of the Science, Technology, Engineering, and Mathematics (STEM) education paradigm in Spain, many teachers have embarked on the design of specific Teaching–Learning Sequences (TLS) to be implemented in schools. Understanding the views and perceptions about STEM that take shape in specific teachers’ designs should enrich the way in which STEM education is designed based on a more focused approach. This study aims to characterise how secondary school teachers from Catalonia (Spain) design STEM TLS, to identify specific design profiles that can be related to different understandings of STEM education based on a mixed-method analytical approach. We collected 345 canvases from teachers participating in a national STEM education training programme, outlining STEM TLS. The canvases were analysed with an assessment rubric consisting of 8 instructional components (Interdisciplinarity, STEM practices, Information and Communications Technology tools, Formalisation, Openness, Alignment, Authenticity and Values). We identified patterns in teachers’ designs while implementing a hierarchical cluster analysis of the results, obtaining 6 different clusters of 39, 36, 66, 49, 90, and 65 TLS, respectively. The diverse components prioritised or balanced in each cluster suggest how STEM education can be conceived of differently by participating teachers through the lens of component analysis. While authenticity appears to be a major force in the clustering process, direct relationships between components can be found (i.e., between Formalisation and Alignment), as well as inverse relationships (i.e., between Openness and Practices). These findings provide important clues to understand STEM TLS design and recognise the rubric and the cluster definition as powerful tools for teacher training and evaluation in STEM education.
Glacier: guided locally constrained counterfactual explanations for time series classification
Authors: Wang Zhendong , Samsten Isak , Miliou Ioanna , Mochaourab Rami , Papapetrou Panagiotis 
Published: March 2024

AbstractIn machine learning applications, there is a need to obtain predictive models of high performance and, most importantly, to allow end-users and practitioners to understand and act on their predictions. One way to obtain such understanding is via counterfactuals, that provide sample-based explanations in the form of recommendations on which features need to be modified from a test example so that the classification outcome of a given classifier changes from an undesired outcome to a desired one. This paper focuses on the domain of time series classification, more specifically, on defining counterfactual explanations for univariate time series. We propose , a model-agnostic method for generating locally-constrained counterfactual explanations for time series classification using gradient search either on the original space or on a latent space that is learned through an auto-encoder. An additional flexibility of our method is the inclusion of constraints on the counterfactual generation process that favour applying changes to particular time series points or segments while discouraging changing others. The main purpose of these constraints is to ensure more reliable counterfactuals, while increasing the efficiency of the counterfactual generation process. Two particular types of constraints are considered, i.e., example-specific constraints and global constraints. We conduct extensive experiments on 40 datasets from the UCR archive, comparing different instantiations of against three competitors. Our findings suggest that outperforms the three competitors in terms of two common metrics for counterfactuals, i.e., proximity and compactness. Moreover, obtains comparable counterfactual validity compared to the best of the three competitors. Finally, when comparing the unconstrained variant of to the constraint-based variants, we conclude that the inclusion of example-specific and global constraints yields a good performance while demonstrating the trade-off between the different metrics.
Different gait combinations based on multi-modal deep CNN architectures
Authors: Yaprak Büşranur , Gedikli Eyüp 
Published: March 2024

AbstractGait recognition is the process of identifying a person from a distance based on their walking patterns. However, the recognition rate drops significantly under cross-view angle and appearance-based variations. In this study, the effectiveness of the most well-known gait representations in solving this problem is investigated based on deep learning. For this purpose, a comprehensive performance evaluation is performed by combining different modalities, including silhouettes, optical flows, and concatenated image of the Gait Energy Image (GEI) head and leg region, with GEI itself. This evaluation is carried out across different multimodal deep convolutional neural network (CNN) architectures, namely fine-tuned EfficientNet-B0, MobileNet-V1, and ConvNeXt-base models. These models are trained separately on GEIs, silhouettes, optical flows, and concatenated image of GEI head and leg regions, and then extracted GEI features are fused in pairs with other extracted modality features to find the most effective gait combination. Experimental results on the two different datasets CASIA-B and Outdoor-Gait show that the concatenated image of GEI head and leg regions significantly increased the recognition rate of the networks compared to other modalities. Moreover, this modality demonstrates greater robustness under varied carrying (BG) and clothing (CL) conditions compared to optical flows (OF) and silhouettes (SF). Codes available at https://github.com/busrakckugurlu/Different-gait-combinations-based-on-multi-modal-deep-CNN-architectures.git
Droit et Territoire(s)
Authors: Moor Pierre 
Published: March 2024

RésuméLa localisation des implantations des grands éléments d’infrastructure collective pose des problèmes de légitimation juridique spécifique. Ils délimitent en effet plusieurs territoires distincts en fonction de la nature des impacts qu’ils provoquent, lesquels, chacun, sont soumis à leurs propres législations et rentrent dans les compétences d’autorités différentes, y compris celle dont dépend la décision sur l’infrastructure envisagée. De telles situations normatives complexes empêchent la sémantisation légitimante que le droit est censé assurer dans les décisions de l’appareil étatique: elle sera toujours partielle, voire lacunaire. Les compensations ne peuvent être que procédurales, et celles-ci sont insuffisantes à atteindre l’idéal postulé par le principe de légalité des activités publiques. Mais il ne peut en aller autrement pour ces infrastructures.