bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhancement of electro‐optical and non‐linear optical parameters of halogenated hexahexyloxytriphenylene (HAT6) molecule: A computational approach
Authors: Mishra Mirtunjai , Kumar Devesh , Singh Devendra 
Published: January 2024

AbstractAn investigation of electro‐optical and nonlinear optical properties of pure and halogenated (−Cl, −Br) hexahexyloxytriphenylene (HAT6) molecule is presented employing a density functional theory (DFT) approach. The effect of halogenation on HAT6 molecule is studied by introducing single and double halogens (Cl, Br) in its molecular geometry. The geometries are optimized progressively to achieve stability using B3LYP method with 6‐311 basis sets. The physical properties encompassing electro‐optical, thermodynamic, and electronic properties of single molecule of HAT6 are computed using DFT method. The introduction of halogens to discotic HAT6 molecule to an augmentation in molecular polarizability, rendering halogenated HAT6 a suitable candidate for nonlinear optical devices due to its π–π conjugation and improved optical parameters. The UV‐Vis spectra indicate the predominant absorptions and changes in absorption depend on the halogenations of the HAT6 molecule. Also, the halogenation effect leads to a significant reduction in the energy bandgap directly associated with electron‐electron correlation, facilitating straightforward tuning.
Experiences and challenges from developing cyber‐physical systems in industry‐academia collaboration
Authors: Cederbladh Johan , Eramo Romina , Muttillo Vittoriano , Strandberg Per Erik 
Published: January 2024

SummaryCyber‐physical systems (CPSs) are increasing in developmental complexity. Several emerging technologies, such as Model‐based engineering, DevOps, and Artificial intelligence, are expected to alleviate the associated complexity by introducing more advanced capabilities. The AIDOaRt research project investigates how the aforementioned technologies can assist in developing complex CPSs in various industrial use cases. In this paper, we discuss the experiences of industry and academia collaborating to improve the development of complex CPSs through the experiences in the research project. In particular, the paper presents the results of two working groups that examined the challenges of developing complex CPSs from an industrial and academic perspective when considering the previously mentioned technologies. We present five identified challenge areas from developing complex CPSs and discuss them from the perspective of industry and academia: data, modeling, requirements engineering, continuous software and system engineering, as well as intelligence and automation. Furthermore, we highlight practical experience in collaboration from the project via two explicit use cases and connect them to the challenge areas. Finally, we discuss some lessons learned through the collaborations, which might foster future collaborative efforts.
Application of amplified damped outrigger in seismic design of high‐rise buildings
Authors: Xue Hongjing , Zhao Zibin , Li Pei , Shu Weinong , Guan Yu , He Dongdong , Wei Dong , Song Jincheng 
Published: January 2024

SummaryThe application of the outrigger technology effectively improves the lateral stiffness of buildings, reduces harmful deformation, enhances the seismic resistance of structures, and contributes to the rapid development of high‐rise buildings. To improve the response speed and energy dissipation of a viscous damping outrigger under seismic excitation, a viscous damping outrigger with an amplifier was proposed, and its effectiveness was verified by combining it with the seismic design of a 149.2 m high‐rise building in an 8.5‐degree intensity area. To determine the additional damping ratio of the building structure, investigations were carried out using both the code method and energy ratio method to evaluate the contribution of the damping outrigger. The damped outrigger equivalent stiffness determination method was studied, and the simplified engineering calculation method was compared against the refined finite element analysis results for engineering design purposes. The displacement amplification technique incorporated into the viscously damped outrigger can enhance the damper response speed, and increase the energy dissipation of the damped outrigger system. The application of an enlarged damped outrigger in engineering can result in an additional damping ratio of approximately 1% while simplifying the calculation method based on the additional damping and equivalent damper cut‐line stiffness, which can be useful in engineering design.
Delayed surgical repair of a rupture of quadriceps tendons in a dog after failure of primary surgery
Authors: Vlasin Michal , Lewis Dave , Mala Barbora , Ceplecha Vaclav , Artingstall Richard 
Published: January 2024

AbstractA 10‐month‐old female American bulldog presented for surgical revision of a left quadriceps injury that was sustained after running into a glass table. The wounds were initially repaired and tendons reattached at the referring practice. However, the dog remained non‐weight bearing following the initial surgery. A substantial gap could be palpated within the quadriceps, proximal to the stifle joint, indicating failure of the quadriceps mechanism repair. Radiography of the limb revealed a large joint effusion and soft tissue swelling around the stifle. Surgical revision of the quadriceps deficit was performed. The dog made a full recovery and no residual lameness was evident 6 months following surgery.
Validation of downscaled 1‐km SMOS and SMAP soil moisture data in 2010–2021
Authors: Fang Bin , Lakshmi Venkataraman , Zhang Runze 
Published: January 2024

AbstractSoil moisture (SM) is an important component for many applications in agriculture, hydrology, meteorology, and ecology. In past decades, passive/active microwave sensors onboard Earth observation satellites are utilized to obtain SM estimates from radiometer or radar observations. In this study, the Soil Moisture and Ocean Salinity (SMOS) Level 3 daily SM retrievals at 25‐km spatial resolution between 2010 and 2021 were downscaled through an apparent thermal inertia principle‐based algorithm. The 1‐km downscaled SMOS SM retrievals were validated by in situ measurements from 635 sites of 19 SM networks in the world, which were acquired from the International Soil Moisture Network and Texas Soil Observation Network. Additionally, the validation results of the SMOS SM products were compared with those of the Soil Moisture Active Passive (SMAP) global Level 2 enhanced SM products at 1‐km downscaled and original 9‐km resolution in 2015–2021. It shows that the downscaled SMOS SM data have an overall improved accuracy and outperform the coarse‐resolution 25‐km data, with a lower unbiased Root Mean Squared Error of 0.114 m3/m3 on average.
High risk of complications following surgical treatment of patella fractures — a cross-sectional study of 798 patients with mean 6.4 years follow-up
Authors: Larsen Peter , Arildsen Marie , Kristensen Kasper , Lyng Kristian D. , Elsoe Rasmus 
Published: January 2024

Abstract
Purpose
This study aimed to investigate the incidence of early and late complications following treatment of patella fractures. Secondary aims were to investigate the association between early and late complications and the patient-reported outcome measurement, the Knee Injury and Osteoarthritis outcome score (KOOS).

Methods
Cross-sectional study including all patients recorded with a patella fracture residing in the Northern Region of Denmark between 2010 and 2020. Early (before 3 months) and late complications were investigated by retrospective review of charts and x-rays. All patients were invited to participate in the study by reporting current knee-specific symptoms. The KOOS was used to investigate patient-reported knee-specific symptoms.

Results
Seven hundred ninety-eight patients were included in the study. A total of 532 (67%) patients were treated conservatively, and 266 (33%) patients underwent surgery. The mean age at the time of fracture was 66.8, ranging from 6 to 103 years of age. The mean follow-up time was 6.4 years, ranging from 1.1 to 12.3 years follow-up. Overall, the rate of complications was 26%. Overall, the rate of complication for the surgical group was 57% and for the conservative group 4%. The most common early complication was the loss of reduction followed by the removal of symptomatic hardware. The most common late complication was the removal of symptomatic hardware and knee arthroscopy. In all the five KOOS subscales (Pain, Symptoms, ADL, Sport/Rec, and QOL), patients presenting with early and late complications reported statistically significantly worse scores than those without complications.

Conclusion
The overall incidence of complications in patients presenting with a patella fracture was 26%, with a mean follow-up time of 6.4 years. In the surgical group, 57% of patients experience at least one complication during the follow-up period. Early and late complications were significantly associated with worse KOOS subscale scores.
A novel model for predicting prognosis and response to immunotherapy in nasopharyngeal carcinoma patients
Authors: Wu Ya-Xian , Tian Bo-Yu , Ou Xin-Yuan , Wu Meng , Huang Qi , Han Run-Kun , He Xia , Chen Shu-Lin 
Published: January 2024

AbstractBlood-based biomarkers of immune checkpoint inhibitors (ICIs) response in patients with nasopharyngeal carcinoma (NPC) are lacking, so it is necessary to identify biomarkers to select NPC patients who will benefit most or least from ICIs. The absolute values of lymphocyte subpopulations, biochemical indexes, and blood routine tests were determined before ICIs-based treatments in the training cohort (n = 130). Then, the least absolute shrinkage and selection operator (Lasso) Cox regression analysis was developed to construct a prediction model. The performances of the prediction model were compared to TNM stage, treatment, and Epstein–Barr virus (EBV) DNA using the concordance index (C-index). Progression-free survival (PFS) was estimated by Kaplan–Meier (K–M) survival curve. Other 63 patients were used for validation cohort. The novel model composed of histologic subtypes, CD19+ B cells, natural killer (NK) cells, regulatory T cells, red blood cells (RBC), AST/ALT ratio (SLR), apolipoprotein B (Apo B), and lactic dehydrogenase (LDH). The C-index of this model was 0.784 in the training cohort and 0.735 in the validation cohort. K–M survival curve showed patients with high-risk scores had shorter PFS compared to the low-risk groups. For predicting immune therapy responses, the receiver operating characteristic (ROC), decision curve analysis (DCA), net reclassifcation improvement index (NRI) and integrated discrimination improvement index (IDI) of this model showed better predictive ability compared to EBV DNA. In this study, we constructed a novel model for prognostic prediction and immunotherapeutic response prediction in NPC patients, which may provide clinical assistance in selecting those patients who are likely to gain long-lasting clinical benefits to anti-PD-1 therapy.
Determinants and reference values of the 6-min walk distance in the general population—results of the population-based STAAB cohort study
Authors: Morbach Caroline , Moser Nicola , Cejka Vladimir , Stach Michael , Sahiti Floran , Kerwagen Fabian , Frantz Stefan , Pryss Rüdiger , Gelbrich Götz , Heuschmann Peter U. , Störk Stefan ,   on behalf of the STAAB consortium, Maack C. , Ertl G. , Fassnacht M. , Wanner C. , Leyh R. , Volkmann J. , Deckert J. , Faller H. , Jahns R. 
Published: January 2024

Abstract
Aims
The 6-min walk test is an inexpensive, safe, and easy tool to assess functional capacity in patients with cardiopulmonary diseases including heart failure (HF). There is a lack of reference values, which are a prerequisite for the interpretation of test results in patients. Furthermore, determinants independent of the respective disease need to be considered when interpreting the 6-min walk distance (6MWD).

Methods
The prospective Characteristics and Course of Heart Failure Stages A-B and Determinants of Progression (STAAB) cohort study investigates a representative sample of residents of the City of Würzburg, Germany, aged 30 to 79 years, without a history of HF. Participants underwent detailed clinical and echocardiographic phenotyping as well as a standardized assessment of the 6MWD using a 15-m hallway.

Results
In a sample of 2762 participants (51% women, mean age 58 ± 11 years), we identified age and height, but not sex, as determinants of the 6MWD. While a worse metabolic profile showed a negative association with the 6MWD, a better systolic and diastolic function showed a positive association with 6MWD. From a subgroup of 681 individuals without any cardiovascular risk factors (60% women, mean age 52 ± 10 years), we computed age- and height-specific reference percentiles.

Conclusion
In a representative sample of the general population free from HF, we identified determinants of the 6MWD implying objective physical fitness associated with metabolic health as well as with cardiac structure and function. Furthermore, we derived reference percentiles applicable when using a 15-m hallway.

Graphical abstract
“Not even my husband knows that I have this [breast cancer]”: survivors’ experiences in accessing, navigating and coping with treatment
Authors: Chidebe Runcie C. W. , Orjiakor Tochukwu C. , Okwu Gloria C. , Orji Mary-Gloria A. , Nwosu-Zitta Theodora O. , Agha Agha A. , Aruah Simeon C. , Okem-Akwiwu Chika , Nwakasi Candidus C. , Gyimah Akwasi Adjei , Shinkafi-Bagudu Zainab , Onyedibe Maria-Chidi C. , Okoye Ifeoma J. , Darlingtina K. Esiaka 
Published: January 2024

Abstract
Purpose
Nigeria has the highest burden of breast cancer (BC) in Africa. While the survival rates for BC are over 90% in many high-income countries; low-and middle-income countries like Nigeria have 40% BC survival rates. Prior studies show that the burden and poor BC survival rates are exacerbated by both health system and individual level factors, yet there is a paucity of literature on the experiences of BC survivors in Nigeria. Hence, this study explored the divergent and convergent experiences of BC survivors in accessing, navigating, and coping with treatment.

Methods
Participants (N = 24, aged 35 to 73 years) were recruited and engaged in focus group discussions (group 1, n = 11; group 2, n = 13 participants). Transcripts were transcribed verbatim and analyzed with inductive thematic analysis.

Results
Four themes were identified: “I am carrying this [breast cancer] alone,” “Living my life,” “‘God’ helped me,” and “A very painful journey.” Participants described how they concealed their BC diagnosis from family and significant others while accessing and navigating BC treatment. Also, they adopted spiritual beliefs as a coping mechanism while sticking to their treatment and acknowledging the burden of BC on their well-being.

Conclusions
Our findings explored the emotional burden of BC diagnosis and treatment and the willingness of the BC survivors to find meaning in their diagnosis. Treatment for BC survivors should integrate supportive care and innovative BC access tools to reduce pain and mitigate the burdens of BC.

Implications for cancer survivors
The integration of innovative technologies for venous access and other treatment needs of BC is crucial and will improve survivorship. Non-disclosure of BC diagnosis is personal and complicated; hence, BC survivors need to be supported at various levels of care and treatment to make meaningful decisions. To improve survivorship, patient engagement is crucial in shared decision-making, collaboration, and active participation in care.
On the total albumin losses during haemocatharsis
Authors: Karabelas Anastasios J. 
Published: January 2024

AbstractExcessive albumin losses during HC (haemocatharsis) are considered a potential cause of hypoalbuminemia—a key risk factor for mortality. This review on total albumin losses considers albumin “leaking” into the dialysate and losses due to protein/membrane interactions (i.e. adsorption, “secondary membrane formation” and denaturation). The former are fairly easy to determine, usually varying at the level of ~ 2 g to ~ 7 g albumin loss per session. Such values, commonly accepted as representative of the total albumin losses, are often quoted as limits/standards of permissible albumin loss per session. On albumin mass lost due to adsorption/deposition, which is the result of complicated interactions and rather difficult to determine, scant in vivo data exist and there is great uncertainty and confusion regarding their magnitude; this is possibly responsible for neglecting their contribution to the total losses at present. Yet, many relevant in vitro studies suggest that losses of albumin due to protein/membrane interactions are likely comparable to (or even greater than) those due to leaking, particularly in the currently favoured high-convection HDF (haemodiafiltration) treatment. Therefore, it is emphasised that top research priority should be given to resolve these issues, primarily by developing appropriate/facile in vivo test-methods and related analytical techniques.
Unveiling the bioactive potential of Actinomycetota from the Tagus River estuary
Authors: dos Santos José Diogo Neves , Pinto Eugénia , Martín Jesús , Vicente Francisca , Reyes Fernando , Lage Olga Maria 
Published: January 2024

AbstractThe increase in global travel and the incorrect and excessive use of antibiotics has led to an unprecedented rise in antibiotic resistance in bacterial and fungal populations. To overcome these problems, novel bioactive natural products must be discovered, which may be found in underexplored environments, such as estuarine habitats. In the present work, estuarine actinomycetotal strains were isolated with conventional and iChip techniques from the Tagus estuary in Alcochete, Portugal, and analysed for different antimicrobial bioactivities. Extracts were produced from the isolated cultures and tested for bioactivity against Staphylococcus aureus ATCC 29213, Escherichia coli ATCC 25922, Aspergillus fumigatus ATCC 240305, Candida albicans ATCC 10231 and Trichophyton rubrum FF5. Furthermore, bioactive extracts were subjected to dereplication by high-performance liquid chromatography (HPLC) and high-resolution mass spectrometry (HRMS) to putatively identify their chemical components. In total, 105 isolates belonging to 3 genera were obtained. One which was isolated, MTZ3.1 T, represents a described novel taxon for which the name Streptomyces meridianus was proposed. Regarding the bioactivity testing, extracts from 12 strains proved to be active against S. aureus, 2 against E. coli, 4 against A. fumigatus, 3 against C. albicans and 10 against T. rubrum. Dereplication of bioactive extracts showed the presence of 28 known bioactive molecules, 35 hits have one or more possible matches in the DNP and 18 undescribed ones. These results showed that the isolated bacteria might be the source of new bioactive natural products.
Integrating probability and big non-probability samples data to produce Official Statistics
Authors: Golini Natalia , Righi Paolo 
Published: January 2024

AbstractThis paper introduces the pseudo-calibration estimators, a novel method that integrates a non-probability sample of big size with a probability sample, assuming both samples contain relevant information for estimating the population parameter. The proposed estimators share a structural similarity with the adjusted projection estimators and the difference estimators but they adopt a different inferential approach and informative setup. The pseudo-calibration estimators can be employed when the target variable is observed in the probability sample and, in the non-probability sample, it is observed correctly, observed with error, or predicted. This paper also introduces an original application of the jackknife-type method for variance estimation. A simulation study shows that the proposed estimators are robust and efficient compared to the regression data integration estimators that use the same informative setup. Finally, a further evaluation using real data is carried out.
Reinforcement learning based agents for improving layouts of automotive crash structures
Authors: Trilling Jens , Schumacher Axel , Zhou Ming 
Published: January 2024

AbstractThe topology optimization of crash structures in automotive and aeronautical applications is challenging. Purely mathematical methods struggle due to the complexity of determining the sensitivities of the relevant objective functions and restrictions according to the design variables. For this reason, the Graph- and Heuristic-based Topology optimization (GHT) was developed, which controls the optimization process with rules derived from expert knowledge. In order to extend the collected expert rules, the use of reinforcement learning (RL) agents for deriving a new optimization rule is proposed in this paper. This heuristic is designed in such a way that it can be applied to many different models and load cases. An environment is introduced in which agents interact with a randomized graph to improve cells of the graph by inserting edges. The graph is derived from a structural frame model. Cells represent localized parts of the graph and delineate the areas where agents can insert edges. A newly developed shape preservation metric is presented to evaluate the performance of topology changes made by agents. This metric evaluates how much a cell has deformed by comparing its shape in the deformed and undeformed state. The training process of the agents is described and their performance is evaluated in the training environment. It is shown how the agents and the environment can be integrated as a new heuristic into the GHT. An optimization of the frame model and a vehicle rocker model with the enhanced GHT is carried out to assess its performance in practical optimizations.
Avoiding lead-time bias by estimating stage-specific proportions of cancer and non-cancer deaths
Authors: Chang Ellen T. , Clarke Christina A. , Colditz Graham A. , Kurian Allison W. , Hubbell Earl 
Published: January 2024

Abstract
Purpose
Understanding how stage at cancer diagnosis influences cause of death, an endpoint that is not susceptible to lead-time bias, can inform population-level outcomes of cancer screening.

Methods
Using data from 17 US Surveillance, Epidemiology, and End Results registries for 1,154,515 persons aged 50–84 years at cancer diagnosis in 2006–2010, we evaluated proportional causes of death by cancer type and uniformly classified stage, following or extrapolating all patients until death through 2020.

Results
Most cancer patients diagnosed at stages I–II did not go on to die from their index cancer, whereas most patients diagnosed at stage IV did. For patients diagnosed with any cancer at stages I–II, an estimated 26% of deaths were due to the index cancer, 63% due to non-cancer causes, and 12% due to a subsequent primary (non-index) cancer. In contrast, for patients diagnosed with any stage IV cancer, 85% of deaths were attributed to the index cancer, with 13% non-cancer and 2% non-index-cancer deaths. Index cancer mortality from stages I–II cancer was proportionally lowest for thyroid, melanoma, uterus, prostate, and breast, and highest for pancreas, liver, esophagus, lung, and stomach.

Conclusion
Across all cancer types, the percentage of patients who went on to die from their cancer was over three times greater when the cancer was diagnosed at stage IV than stages I–II. As mortality patterns are not influenced by lead-time bias, these data suggest that earlier detection is likely to improve outcomes across cancer types, including those currently unscreened.