bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular properties of TCNQ and anions
Authors: Andersson Kerstin 
Published: June 2023

AbstractThe purpose of the work is to calculate accurate values of molecular properties of tetracyanoquinodimethane (TCNQ) and anions using the complete active space self-consistent field and complete active space second-order perturbation theory methods. The accuracy has been evaluated using several basis sets and active spaces. The calculated properties have, in many cases, been confirmed by experimental data (within parentheses), e.g., 9.54 eV (9.61 eV) and 3.36 eV (3.38 eV) for the ionization potential and electron affinity, respectively, of TCNQ; 3.12 eV (3.01 eV) and 3.54 eV (3.42 or 3.60 eV) for transition energies to the two lowest-lying excited singlet states of TCNQ; − 0.03, 0.46 and 1.44 eV (0, 0.5 and 1.4 eV) for electronic energies in electron attachment of TCNQ forming $$\hbox {TCNQ}^-$$

TCNQ
-

; and 3.88 eV (3.71 eV) for the transition energy to the second lowest-lying excited singlet state of $$\hbox {TCNQ}^{2-}$$

TCNQ

2
-

. Further, the calculations have brought insight into some experimental observations, e.g., the shape of the fluorescence spectrum of TCNQ at 3–4 eV.
A Convergent Inflation Hierarchy for Quantum Causal Structures
Authors: Ligthart Laurens T. , Gachechiladze Mariami , Gross David 
Published: June 2023

AbstractA causal structure is a description of the functional dependencies between random variables. A distribution is compatible with a given causal structure if it can be realized by a process respecting these dependencies. Deciding whether a distribution is compatible with a structure is a practically and fundamentally relevant, yet very difficult problem. Only recently has a general class of algorithms been proposed: These so-called inflation techniques associate to any causal structure a hierarchy of increasingly strict compatibility tests, where each test can be formulated as a computationally efficient convex optimization problem. Remarkably, it has been shown that in the classical case, this hierarchy is complete in the sense that each non-compatible distribution will be detected at some level of the hierarchy. An inflation hierarchy has also been formulated for causal structures that allow for the observed classical random variables to arise from measurements on quantum states—however, no proof of completeness of this quantum inflation hierarchy has been supplied. In this paper, we construct a first version of the quantum inflation hierarchy that is provably convergent. It takes an additional parameter, r, which can be interpreted as an upper bound on the Schmidt rank of the observables involved. For each r, it provides a family of increasingly strict and ultimately complete compatibility tests for correlations that are compatible with a given causal structure under this Schmidt rank constraint. From a technical point of view, convergence proofs are built on de Finetti theorems, which show that certain symmetries (which can be imposed in convex optimization problems) imply independence of random variables (which is not directly a convex constraint). A main technical ingredient to our proof is a Quantum de Finetti Theorem that holds for general tensor products of $$C^*$$

C
∗

-algebras, generalizing previous work that was restricted to minimal tensor products.
Sensitive peripheral nerve repair during COVID-19 emergency: does the outpatient surgical setting work as well as the operating theater?
Authors: Garutti Leonardo , Tamborini Federico , Fagetti Alessandro , Baroni Tommaso , Bascialla Elisa , Minini Andrea , Cherubino Mario , Valdatta Luigi 
Published: June 2023

Abstract
Background
Nerve injuries are a common occurrence among hand injuries, which at the time of the COVID-19 emergency, did not appear to have reduced their incidence. The treatment of these injuries is urgent, but the pandemic has led to a reduction in the availability of resources and a consequent reorganization of activities. Principles about Wide-Awake Local Anesthesia No Tourniquet (WALANT) in hand surgery expressed by LaLonde helped hand surgeons to adapt to this new condition by demonstrating a possible outpatient pathway for the treatment of hand traumatic conditions. In the present study, we bring our experience in nerve repair at time of COVID-19 emergency.

Methods
We retrospectively enrolled in this study all patients surgically treated for a peripheral nerve injury (PNI) during the COVID-19 emergency period from March 2020 to March 2022. Demographical, anamnestic, surgical, and postoperative data were recorded and analyzed. Persisting Tinel was set as the primary outcome, while hypoesthesia and other complications as secondary outcomes.

Results
Thirty-six patients have been enrolled. Despite some difference in group homogeneity in term of hypertension and multi-digital involvement, we registered no difference in term of outcomes (P > 0.05) between patient operated in surgical theater and in outpatient clinic and between the various techniques of nerve repair employed (P > 0.05).

Conclusions
Nerve repair on an outpatient facility is technically feasible and was found in this study to be safe and effective. Compared to hospitalization, the outpatient setting has a more “agile” organization and lower costs, making it preferable in selected cases.
Level of evidence: Level IV, Therapeutic.
Evolution Equations with Sectorial Operator on Fractional Power Scales
Authors: Czaja Radosław , Dłotko Tomasz 
Published: June 2023

AbstractOriginating with the famous monograph by Dan Henry, the semigroup approach to evolution problems having a positive sectorial operator in the main part allows us to settle them at various levels of the fractional power scale associated with the main linear operator. This translates into different regularity properties of local solutions to such equations. Specific applications of the abstract results to the 2D surface quasi-geostrophic equation or the fractional chemotaxis system are presented.
Clinical value of cholinesterase in patients treated with radical nephroureterectomy for upper urinary tract carcinoma
Authors: von Deimling Markus , D’Andrea David , Pradere Benjamin , Laukhtina Ekaterina , Yanagisawa Takafumi , Kawada Tatsushi , Majdoub Muhammad , Rajwa Pawel , Pallauf Maximilian , Singla Nirmish , Soria Francesco , Margulis Vitaly , Chlosta Piotr , Karakiewicz Pierre I. , Roupret Morgan , Teoh Jeremy Yuen-Chun , Fisch Margit , Rink Michael , Moschini Marco , Lotan Yair , Shariat Shahrokh F. 
Published: June 2023

Abstract
Purpose
To evaluate the prognostic value and the clinical impact of preoperative serum cholinesterase (ChoE) levels on decision-making in patients treated with radical nephroureterectomy (RNU) for clinically non-metastatic upper tract urothelial cancer (UTUC).

Methods
A retrospective review of an established multi-institutional UTUC database was performed. We evaluated preoperative ChoE as a continuous and dichotomized variable using a visual assessment of the functional form of the association of ChoE with cancer-specific survival (CSS). We used univariable and multivariable Cox regression models to establish its association with recurrence-free survival (RFS), CSS, and overall survival (OS). Discrimination was evaluated using Harrell’s concordance index. Decision curve analysis (DCA) was used to assess the impact on clinical decision-making of preoperative ChoE.

Results
A total of 748 patients were available for analysis. Within a median follow-up of 34 months (IQR 15–64), 191 patients experienced disease recurrence, and 257 died, with 165 dying of UTUC. The optimal ChoE cutoff identified was 5.8 U/l. ChoE as continuous variable was significantly associated with RFS (p < 0.001), OS (p < 0.001), and CSS (p < 0.001) on univariable and multivariable analyses. The concordance index improved by 8%, 4.4%, and 7% for RFS, OS, and CSS, respectively. On DCA, including ChoE did not improve the net benefit of standard prognostic models.

Conclusion
Despite its independent association with RFS, OS, and CSS, preoperative serum ChoE has no impact on clinical decision-making. In future studies, ChoE should be investigated as part of the tumor microenvironment and assessed as part of predictive and prognostic models, specifically in the setting of immune checkpoint-inhibitor therapy.
A simplified finite strain plasticity model for metallic applications
Authors: Chen Yiwei , Izzuddin Bassam A. 
Published: June 2023

AbstractIn this work, a finite strain elastoplastic model is proposed within a total Lagrangian framework based on multiplicative decomposition of the deformation gradient, with several simplifications aimed at facilitating more concise code implementation and enhancing computational efficiency. Pre- and post-processors are utilised for conversion between different stress and strain measures, sandwiching the core plastic flow algorithm which preserves the small strain form. Simplifications focus on the pre- and post-processor components by substituting certain arithmetic operations associated with high computational demands with simpler ones without compromising accuracy. These modifications are based on assumptions, which are valid for most metals, that the elastic strains are small compared to plastic strains, and that the incremental plastic deformations are small for each step. In addition, the consistent tangent modulus matrix is derived in a reduced form, both for the general full model and the new simplified model, facilitating more straightforward computations in both cases. The models are verified against two classical numerical examples where favourable comparisons are achieved. Overall, the simplified model is shown to provide a significant reduction in computational demand for the two considered numerical problems, with negligible deviation in the results compared to the full model, subject to fulfilling the underlying assumptions with the adoption of a sufficiently small step size.
The correlation between 9-HPT and patient-reported measures of upper limb function in multiple sclerosis: a systematic review and meta-analysis
Authors: Grange Erica , Solaro Claudio , Di Giovanni Rachele , Marengo Davide 
Published: June 2023

AbstractUpper limb function is one of the most affected domains in people with multiple sclerosis (PwMS), as self-reported by 50% of patients. Heterogeneous results have been found about the correlation between objective and subjective upper limb function. The aim of the present study is to perform a systematic review and meta-analysis of studies presenting data on the strength of association between the gold standard for 9-Hole Peg Test scores and Patient-Reported Outcome Measures (PROMs) of manual ability. Primary research studies including assessments of 9-Hole Peg Test scores and Patient-Reported Outcome Measures were searched in Scopus, Web of Science, and PubMed. Meta analytical calculations were performed using a random-effects model. We retrieved n = 27 studies including n = 75 distinct effect sizes (N of subjects = 3263). The central tendency analysis showed a strong correlation between 9-HPT scores and PROMs (r = 0.51, 95% CI [0.44, 0.58]). Moderator analysis showed the effect size to be significantly larger in studies with a mean or median EDSS level indicating severe disability. The publication bias hypothesis was not supported; instead, we noted that studies based on larger samples also tend to report stronger effect sizes. Results of the study indicate that the correlation between 9-HPT and PROMs is strong, although the constructs measured by these instrument does not fully overlap. The correlation between 9-HPT and PROMs was stronger in larger studies and when samples include a sizeable subgroup of PwMS with severe disability, pointing out the importance of sample diversity.
Prachařite, CaSb5+2(As3+2O5)2O2·10H2O, a new mineral from Lavrion, Greece
Authors: Kolitsch Uwe , Sejkora Jiří , Topa Dan , Kampf Anthony R. , Plášil Jakub , Rieck Branko , Fabritz Karl Heinz 
Published: June 2023

AbstractPrachařite, ideally CaSb5+2(As3+2O5)2O2·10H2O, is a new mineral found in underground workings of the Plaka Mine No. 80, Plaka, Lavrion Mining District, Attica, Greece. It occurs as colourless to white, thin tabular hexagonal, in general sharp crystals up to 2.5 mm in diameter, and is associated with pharmacolite, sulphur and very rare smamite {Ca2Sb(OH)4[H(AsO4)2]·6H2O} on a matrix composed of sphalerite, galena and carbonate gangue. Prachařite is translucent to transparent, with a glassy lustre, white streak, a good cleavage parallel to {0001} and a distinct cleavage parallel to {10$$\overline{1 }$$

1
¯

0}. It is non-luminescent, brittle, and has an uneven fracture, a Mohs hardness of 2–2.5 and X-ray density Dx = 2.848 g/cm3, Dcalc. = 2.836–2.853 g/cm3 (for two measured compositions). Optically, it is uniaxial negative, with ω = 1.619(1) and ε = 1.553(1). Prachařite is trigonal, space group P$$\overline{3 }$$

3
¯

c1 (no. 165), with a = 13.951(2), c = 19.899(2) Å, V = 3354.1(10) Å3 and Z = 6. Strongest lines in the X-ray powder diffraction pattern are [d in Å (I) hkl]: 9.894 (100) 002; 6.045 (8) 200; 5.156 (10) 202; 4.946 (11) 004; 3.297 (19) 311, 006, 222; 2.988 (22) 400, 313, 116. Two sets of independent electron probe micro-analyses yielded (wt%): CaO 6.28/7.12, MgO 0.09/-, Zn -/0.01, Sb2O5 39.22/40.19, As2O3 47.59/47.39, SO3 -/0.02, H2O 21.65/22.04 (calculated on the basis of ideal composition derived from crystal-structure determination), total 114.83/116.77; the total is reproducibly high due to a loss of a third of all water molecules under the electron beam. The empirical formulae, based on O = 22 atoms per formula unit, for the two datasets are very similar, (Ca0.93Mg0.02)Σ0.95Sb2.02(AsO3)4.00·10H2O and Ca1.04Sb2.03(AsO3)3.92·10H2O. The ideal formula is CaSb5+2(As3+2O5)2O2·10H2O, determined with the help of a crystal-structure determination based on single-crystal X-ray diffraction datasets collected at room temperature (R1 = 2.3%). The atomic arrangement of prachařite is unusual; it is based on two different layers containing a six-membered ring of corner-sharing SbO6 octahedra, an eight-coordinated Ca1 atom in the centre of the ring, two non-equivalent AsO3 groups corner-linked to form a (As2O5)4− diarsenite group, and, on interlayer sites, a seven-coordination Ca2 atom and three water molecules (all only weakly hydrogen-bonded), one of which is only partially occupied (split position). The mineral is named in honour of Dr Ivan Prachař, a long-term researcher of the mineralogy and underground workings of Lavrion.
What are the core recommendations for rheumatoid arthritis care? Systematic review of clinical practice guidelines
Authors: Conley Brooke , Bunzli Samantha , Bullen Jonathan , O’Brien Penny , Persaud Jennifer , Gunatillake Tilini , Nikpour Mandana , Grainger Rebecca , Barnabe Cheryl , Lin Ivan 
Published: June 2023

Abstract
Systematic r
eview to evaluate the quality of the clinical practice guidelines (CPG) for rheumatoid arthritis (RA) management and to provide a synthesis of high-quality CPG recommendations, highlighting areas of consistency, and inconsistency. Electronic searches of five databases and four online guideline repositories were performed. RA management CPGs were eligible for inclusion if they were written in English and published between January 2015 and February 2022; focused on adults ≥ 18 years of age; met the criteria of a CPG as defined by the Institute of Medicine; and were rated as high quality on the Appraisal of Guidelines for Research and Evaluation II instrument. RA CPGs were excluded if they required additional payment to access; only addressed recommendations for the system/organization of care and did not include interventional management recommendations; and/or included other arthritic conditions. Of 27 CPGs identified, 13 CPGs met eligibility criteria and were included. Non-pharmacological care should include patient education, patient-centered care, shared decision-making, exercise, orthoses, and a multi-disciplinary approach to care. Pharmacological care should include conventional synthetic disease modifying anti-rheumatic drugs (DMARDs), with methotrexate as the first-line choice. If monotherapy conventional synthetic DMARDs fail to achieve a treatment target, this should be followed by combination therapy conventional synthetic DMARDs (leflunomide, sulfasalazine, hydroxychloroquine), biologic DMARDS and targeted synthetic DMARDS. Management should also include monitoring, pre-treatment investigations and vaccinations, and screening for tuberculosis and hepatitis. Surgical care should be recommended if non-surgical care fails. This synthesis offers clear guidance of evidence-based RA care to healthcare providers.

Trial registration
The protocol for this review was registered with Open Science Framework (https://doi.org/10.17605/OSF.IO/UB3Y7).
Carcinogenesis and management of human papillomavirus-associated cervical cancer
Authors: Kusakabe Misako , Taguchi Ayumi , Sone Kenbun , Mori Mayuyo , Osuga Yutaka 
Published: June 2023

AbstractApproximately 95% of cervical cancer are caused by human papillomavirus (HPV) infection. Although it is estimated that HPV-associated cervical cancer will decrease with the widespread use of HPV vaccine, it may take time for HPV-associated cervical cancer to be eliminated. For the appropriate management of HPV-associated cervical cancer, it is important to understand the detailed mechanisms of cervical cancer development. First, the cellular origin of most cervical cancers is thought to be cells in the squamocolumnar junction (SCJ) of the uterine cervix. Therefore, it is important to understand the characteristics of SCJ for cervical cancer screening and treatment. Second, cervical cancer is caused by high risk HPV (HR-HPV) infection, however, the manner of progression to cervical cancer differs depending on the type of HR-HPV: HPV16 is characterized by a stepwise carcinogenesis, HPV18 is difficult to detect in precancerous lesions, and HPV52, 58 tends to remain in the state of cervical intraepithelial neoplasia (CIN). Third, in addition to the type of HPV, the involvement of the human immune response is also important in the progression and regression of cervical cancer. In this review, we demonstrate the carcinogenesis mechanism of HPV-associated cervical cancer, management of CIN, and the current treatment of CIN and cervical cancer.
Histopathological Image Deep Feature Representation for CBIR in Smart PACS
Authors: Tommasino Cristian , Merolla Francesco , Russo Cristiano , Staibano Stefania , Rinaldi Antonio Maria 
Published: June 2023

AbstractPathological Anatomy is moving toward computerizing processes mainly due to the extensive digitization of histology slides that resulted in the availability of many Whole Slide Images (WSIs). Their use is essential, especially in cancer diagnosis and research, and raises the pressing need for increasingly influential information archiving and retrieval systems. Picture Archiving and Communication Systems (PACSs) represent an actual possibility to archive and organize this growing amount of data. The design and implementation of a robust and accurate methodology for querying them in the pathology domain using a novel approach are mandatory. In particular, the Content-Based Image Retrieval (CBIR) methodology can be involved in the PACSs using a query-by-example task. In this context, one of many crucial points of CBIR concerns the representation of images as feature vectors, and the accuracy of retrieval mainly depends on feature extraction. Thus, our study explored different representations of WSI patches by features extracted from pre-trained Convolution Neural Networks (CNNs). In order to perform a helpful comparison, we evaluated features extracted from different layers of state-of-the-art CNNs using different dimensionality reduction techniques. Furthermore, we provided a qualitative analysis of obtained results. The evaluation showed encouraging results for our proposed framework.
Graphical Abstract
An overview of space-variant and active vision mechanisms for resource-constrained human inspired robotic vision
Authors: de Figueiredo Rui Pimentel , Bernardino Alexandre 
Published: June 2023

AbstractIn order to explore and understand the surrounding environment in an efficient manner, humans have developed a set of space-variant vision mechanisms that allow them to actively attend different locations in the surrounding environment and compensate for memory, neuronal transmission bandwidth and computational limitations in the brain. Similarly, humanoid robots deployed in everyday environments have limited on-board resources, and are faced with increasingly complex tasks that require interaction with objects arranged in many possible spatial configurations. The main goal of this work is to describe and overview biologically inspired, space-variant human visual mechanism benefits, when combined with state-of-the-art algorithms for different visual tasks (e.g. object detection), ranging from low-level hardwired attention vision (i.e. foveal vision) to high-level visual attention mechanisms. We overview the state-of-the-art in biologically plausible space-variant resource-constrained vision architectures, namely for active recognition and localization tasks.
Intra and Extra-Familial Child Sexual Abuse: The Role of Psychopathy
Authors: Sousa Marta , Cunha Olga , Gonçalves Rui Abrunhosa , de Castro-Rodrigues Andreia 
Published: June 2023

Abstract
The present study analyses the relationship between psychopathic traits, the four facets of psychopathy (i.e., interpersonal, affective, lifestyle, and antisocial), and the type of crime committed (i.e., intrafamilial and extrafamilial child sexual abuse; and nonsexual crimes). The Self-Report Psychopathy Scale – Short Form (SRP-SF) and the Marlowe-Crowne Social Desirability Scale – Short Form were completed by 110 male individuals who sexually offended minors (ISOMs) and 146 individuals convicted for nonsexual crimes. Four binary logistic regression analyses were conducted, controlling for sociodemographic, criminal, and individual variables. ISOMs are less likely to score high in the SRP-SF total score and the interpersonal facet and more likely to score high in the affective facet than individuals with nonsexual crimes. Besides, ISOMs are less likely to have a prior history of alcohol and drug abuse and to have previous contact with the justice system but are more likely to have a history of psychological problems. Therefore, only the prior alcohol and drug abuse history emerged as predictors for ISOMs subtypes. According to our results, psychopathic traits should not be considered in the assessment and intervention of ISOMs, and the focus of the intervention should be on the affective dimension and the level of psychopathology.