bluuebunny/crossref_metadata_2025_split huggingface dataset:
A General Concept for the Electronic and Steric Modification of 1‐Metallacyclobuta‐2,3‐dienes: A Case Study of Group 4 Metallocene Complexes
Authors: Li Sihan , Schröder Mirjam , Prudlik Adrian , Shi Xinzhe , Spannenberg Anke , Rabeah Jabor , Francke Robert , Corzilius Björn , Reiß Fabian , Beweries Torsten 
Published: March 2024

AbstractThe synthesis of group 4 metal 1‐metallacyclobuta‐2,3‐dienes as organometallic analogues of elusive 1,2‐cyclobutadiene has so far been limited to SiMe3 substituted examples. We present the synthesis of two Ph substituted dilithiated ligand precursors for the preparation of four new 1‐metallacyclobuta‐2,3‐dienes [rac‐(ebthi)M] (M=Ti, Zr; ebthi=1,2‐ethylene‐1,10‐bis(η5‐tetrahydroindenyl)). The organolithium compounds [Li2(RC3Ph)] (1 b: R=Ph, 1 c: R=SiMe3) as well as the metallacycles of the general formula [rac‐(ebthi)M(R1C3R2)] (2 b: M=Ti, R1=R2=Ph, 2 c: M=Ti, R1=Ph, R2=SiMe3; 3 b: M=Zr, R1=R2=Ph; 3 c: M=Zr, R1=Ph, R2=SiMe3) were fully characterised. Single crystal X‐ray diffraction and quantum chemical bond analysis of the Ti and Zr complexes reveal ligand influence on the biradicaloid character of the titanocene complexes. X‐band EPR spectroscopy of structurally similar Ti complexes [rac‐(ebthi)Ti(Me3SiC3SiMe3)] (2 a), 2 b, and 2 c was carried out to evaluate the accessibility of an EPR active triplet state. Cyclic voltammetry shows that introduction of Ph groups renders the complexes easier to reduce. 13C CPMAS NMR analysis provides insights into the cause of the low field shift of the resonances of metal‐bonded carbon atoms and provides evidence of the absence of the β−C−Ti interaction.
An optimal sustainable planning strategy for national carbon capture deployment: A review on the state ofCO2capture in Canada
Authors: Usas Samantha A. , Ricardez‐Sandoval Luis 
Published: March 2024

AbstractThis study reviews the steps Canada is taking to address sustainable decarbonization in the context of carbon capture. This work also presents a new optimal framework for national optimal deployment in need of strategic carbon capture implementation. This framework considers external environmental and social considerations often missing from implementation frameworks, which will aid policy makers in more well‐rounded deployment decisions. Thus far, Canada's carbon projects have captured a total of 36.3 Mt of CO2which has cost over $2.7 billion to implement. The Canadian case study utilizing the proposed optimal planning strategy shows that implementation of 58 post‐combustion carbon capture (PCC) plants located in seven provinces (Alberta, British Columbia, New Brunswick, Nova Scotia, Ontario, Quebec, and Saskatchewan) would result in Canada meeting the national targets. This implementation includes 16 plants removing emissions from the Electricity sector, 16 from the Heavy Industry sector, and 26 from the Oil and gas sector resulting in new emissions levels of 11.82 MtCO2, 27.63 MtCO2, and 107.01 MtCO2in each sector, respectively. Additional case studies examined the impact of Alberta's emissions and varying the national targets resulting in different optimal implementations plans. Through a sensitivity analysis on these targets, it was determined that plant distribution is heavily dependent on provincial energy and CO2transport prices. Additionally, if Alberta were to reduce their GHG emissions by 50% through alternative sustainable methods, only 35 PCC plants would be required to meet national targets. This framework provides a sustainable tool for decision‐makers to accelerate decarbonization.
Unique Azolyl Acylhydrazonyl Hybridization of Aloe Emodins to Access Potential Antibacterial Agents
Authors: Wang Yi‐Xin , Deng Zhao , Bibi Aisha , Fang Bo , Zhou Cheng‐He 
Published: March 2024

Comprehensive SummaryA type of unique azole‐hybridized acylhydrazonyl aloe emodins (AAEs) were developed as new antibacterial agents for combating bacterial infections. Some target AAEs showed strong antibacterial activities, especially, tetrazolylthioether AAE 27a exhibited broad antibacterial spectrum with 16—256 folds and 8—64 folds more active antibacterial efficacy than the reference drugs aloe emodin and norfloxacin, respectively. Tetrazolylthioether AAE 27a also gave low hemolysis and cytotoxicity, as well as favorable bioavailability. Preliminary mechanism explorations revealed that tetrazolylthioether AAE 27a could cause bacterial membrane depolarization and damage the cell membrane, resulting in nucleic acid leakage. Moreover, compound 27a could intercalate into DNA to impede its replication and form supramolecular 27a‐DNA gyrase complex to disturb the function of DNA gyrase. These findings would provide valuable insights for the further exploration of azolyl acylhydrazonyl aloe emodins as new potential antibacterial candidates.
Uracil‐ and Pyridine‐Containing HDAC Inhibitors Displayed Cytotoxicity in Colorectal and Glioblastoma Cancer Stem Cells
Authors: Fiorentino Francesco , Fabbrizi Emanuele , Raucci Alessia , Noce Beatrice , Fioravanti Rossella , Valente Sergio , Paolini Chantal , De Maria Ruggero , Steinkühler Christian , Gallinari Paola , Rotili Dante , Mai Antonello 
Published: March 2024

AbstractCancer stem cells (CSCs) are a niche of highly tumorigenic cells featuring self‐renewal, activation of pluripotency genes, multidrug resistance, and ability to cause cancer relapse. Seven HDACi (1‐7), showing either hydroxamate or 2′‐aminoanilide function, were tested in colorectal cancer (CRC) and glioblastoma multiforme (GBM) CSCs to determine their effects on cell proliferation, H3 acetylation levels and in‐cell HDAC activity. Two uracil‐based hydroxamates, 5 and 6, which differ in substitution at C5 and C6 positions of the pyrimidine ring, exhibited the greatest cytotoxicity in GBM (5) and CRC (6) CSCs, followed by the pyridine‐hydroxamate 2, with 2‐ to 6‐fold higher potency than the positive control SAHA. Finally, increased H3 acetylation as well as HDAC inhibition directly in cells by selected 2′‐aminoanilide 4 and hydroxamate 5 confirmed target engagement. Further investigation will be conducted into the broad‐spectrum anticancer properties of the most potent derivatives and their effects in combination with approved, conventional anticancer drugs.
Significance of HIV status in cervical cancer patients receiving curative chemoradiation therapy, definitive radiation alone, or palliative radiation in Botswana
Authors: Meghani Kinza , Puri Priya , Bazzett‐Matabele Lisa , Vuylsteke Peter , Luckett Rebecca , Monare Barati , Chiyapo Sebathu , Ketlametswe Rebecca , Ralefala Tlotlo B. , Bvochora‐Nsingo Memory , Zetola Nicola , Ramogola‐Masire Doreen , Grover Surbhi 
Published: March 2024

ABSTRACTBACKGROUNDCervical cancer associated with human papillomavirus has the highest cancer incidence and mortality for women in Botswana because of a high HIV prevalence and limited screening. This study investigates the significance of HIV on the overall survival (OS) of patients with locally advanced cervical cancer by various treatment categories (curative chemoradiation, definitive radiation [RT] alone, or palliative RT alone).METHODSThis study included patients diagnosed with cervical cancer between 2013 and 2020, prospectively enrolled in the Botswana Prospective Cancer Cohort. OS based on HIV status and completion of planned treatment regimen was estimated by the Kaplan–Meier method. Comparisons of 2‐year OS by HIV status was performed by the log‐rank test, univariate and multivariable Cox analyses adjusting for cancer stage, RT dose, number of chemotherapy cycles, and baseline hemoglobin levels.RESULTSOf 1131 patients diagnosed with stage IB‐IVB cervical cancer, 69.8% were women living with HIV (n = 789). For patients receiving curative chemoradiation, HIV status was not significantly associated with OS in unadjusted (p = .987) and adjusted (p = .578) analyses. For RT only treatment and definitive (high‐dose) RT alone, HIV status was significantly associated with OS in unadjusted analysis (HR = 1.77, p = .002; HR = 1.95, p = .014), but not in adjusted analysis (p = .227, p = .73). For patients receiving palliative (low‐dose) RT, HIV status was not associated with OS in unadjusted (p = .835) or adjusted analysis (p = .359).CONCLUSIONSIn Botswana, a resource‐limited setting, HIV status had no significant effect on 2‐year OS in patients with cervical cancer with well‐managed HIV receiving chemoradiation, RT alone, or palliative RT. This demonstrates that patients living with HIV receiving antiretroviral treatment can receive clinically appropriate treatment with no evidence that HIV may lead to poorer outcomes.
A face retrieval technique combining large models and artificial neural networks
Authors: Lu Jin 
Published: March 2024

SummaryMultimodal sentiment analysis is a popular research direction in the field of affective computing. It extends unimodal‐based sentiment analysis to the environment based on multimodal information exchange. Face retrieval is the most critical technology in the current multimodal sentiment analysis field. Traditional methods for face retrieval rely on large amounts of data to train the matching relationship between text and face images. This approach suffers from several issues, including high data acquisition costs, insufficient or poor quality training data, and high computational costs for training models. To address the aforementioned issues, this paper proposes a face retrieval technique that merges a large language model with a visual base model. This technique explores the use of zero samples for training, eliminating the need to collect data and train the model to achieve face retrieval. As a result, it significantly reduces the cost requirements of data and computational power. First, an accurate natural text of face description is generated using a large language model based on cue engineering based on face‐independent features. Second, the text and images are encoded using a visual base model and mapped into the same multidimensional space for matching. The experimental results indicate that this method performs well on the CelebA dataset. Extracting 31 different sets of face feature descriptions from the CelebA dataset for retrieval achieves 72% on top1 accuracy and 93% on top3 accuracy. Compared to traditional methods, the method proposed in this paper achieves considerable face retrieval accuracy without collecting text image pairs of data and without training the model.
Concept and Development of Algebraic Topological Framework Nucleic Acids
Authors: Song Lu , Zuo Xiaolei , Li Min 
Published: March 2024

AbstractNucleic acids are considered as promising materials for developing exquisite nanostructures from one to three dimensions. The advances of DNA nanotechnology facilitate ingenious design of DNA nanostructures with diverse shapes and sizes. Especially, the algebraic topological framework nucleic acids (ATFNAs) are functional DNA nanostructures that engineer guest molecules (e. g., nucleic acids, proteins, small molecules, and nanoparticles) stoichiometrically and spatially. The intrinsic precise properties and tailorable functionalities of ATFNAs hold great promise for biological applications, such as cell recognition and immunotherapy. This Perspective highlights the concept and development of precisely assembled ATFNAs, and outlines the new frontiers and opportunities for exploiting the structural advantages of ATFNAs for biological applications.
Effectiveness of Day Treatment Group Schema Therapy for Personality Disorders: A Multiple Baseline Single‐Case Study
Authors: van Houten Joska , Bouwmeester Samantha , Bachrach Nathan 
Published: March 2024

ABSTRACTBackgroundSchema therapy is effective for most outpatients with personality disorders (PDs). However, a subgroup does not sufficiently benefit from outpatient programmes. Despite its common clinical use, a thorough evaluation of day treatment group schema therapy (GST) is lacking.AimsThis study aimed to investigate the effectiveness of day treatment GST for patients with PDs.Methods and ProceduresNegative core beliefs were the primary outcome in a multiple baseline single‐case design, measured weekly before and during 30 weeks of day treatment GST. Secondary outcomes included severity of primary PD, early maladaptive schemas (EMS), schema modes and general psychopathology measured before and after day treatment GST. Intervention effects were evaluated through visual inspection and randomization test analysis, with a reliable change index calculated for the secondary outcome measures.Outcomes and ResultsA total of 79% of treatment completers showed a significant positive effect of day treatment GST with large effect sizes (Cohen's d: 0.96–10.04). Secondary outcomes supported these findings: 56% had a significant decrease in the severity of primary PD and 53% in general psychopathology. In addition, 63% of EMS and 72% of schema modes (87.5% for functional schema modes) showed significant positive reliable changes.Conclusions and ImplicationsThis is the first empirical study that demonstrated the effectiveness of day treatment GST in patients with severe PDs. Day treatment GST can serve as a stepped care treatment option for nonresponsive patients in outpatient programmes. Further randomized controlled (cost‐)effectiveness research is necessary to substantiate these findings and investigate the specific patient populations for which day treatment is essential.
Gender diversity in management and corporate financial performance: A systematic literature review
Authors: Gaio Luiz Eduardo , Lucas Angela Christina , Junior Johan Hendrik Poker , Belli Marcio Marcelo 
Published: March 2024

AbstractWith many studies on the participation of women in management positions, a systematic review of gender diversity and its impact on the financial performance of companies over the last 20 years is in demand. To this end, we conducted a literature review of 370 articles, 359 of which were empirical studies published in the most relevant journals of Finance and Business Administration. As a result of the analysis, the characteristics of the research, the main authors, the journals, the theories used, and the relationships between variables were identified. The results show that most research points to evidence of a positive relationship between female participation and financial performance under different aspects (e.g., return, risk, cost of capital, fraud, etc.). This study contributes to the academic debate on the relationship between gender diversity and firm performance. In addition to this review, we outline a theoretical framework and present future research agendas.
Formation mechanism of polycyclic aromatic hydrocarbons in grilled beef and the mitigative effect of flavonoids
Authors: Lv Xiaomei , Zhang Haolin , Lin Qiuyi , Xie Ruiwei , Chen Bing‐Huei , Lai Yu‐Wen , Teng Hui , Chen Lei , Cao Hui 
Published: March 2024

AbstractPolycyclic aromatic hydrocarbons (PAHs) are found in many common foods and increase the risk of cancer in humans. This study systematically screened the components that may be related to the formation of PAHs by an excessive addition of 19 amino acids and glucose in the beef patties. Phenylalanine and glucose exhibited the potential as promoters of PAHs, while lysine, aspartic acid, glutamic acid, valine, and methionine exhibited excellent potential as inhibitors of PAHs. Subsequently, a chemical model containing phenylalanine and glucose was established to confirm their roles as precursors of PAHs. The formation mechanism of PAHs showed that naphthalene was first formed as a basic structure, and then, PAHs with more rings were further formed through substitution, addition reactions, or intramolecular cyclization reactions. The mitigative effects of four flavonoids on total PAH contents were in the order: kaempferol > naringenin (better for individual PAH) > myricetin > quercetin (contradictory), which suggested that the antioxidant ability or radical scavenging capacity of flavonoids may be one of the pathways for PAH inhibition.
Enhanced conservative phase field method for moving contact line problems
Authors: Shen Mingguang , Li Ben Q. 
Published: March 2024

AbstractThe traditional Allen–Cahn phase field model doesn't conserve mass and is mostly used in solidification microstructure formation. However, a recently modified Allen–Cahn phase field model has riveted the attention of the academic community. It was obtained by subtracting the curvature‐driven flow term from the advective Allen–Cahn phase field model, and thus improves the boundedness of the phase field. More recently, the model has been further refined with the recovered signed distance function to compute interface normal vectors. This paper develops a three dimensional phase field model, based on the abovementioned Allen–Cahn phase field model. The model was discretized using a finite difference method on a half‐staggered grid. More important, interfacial tension was expressed in a potential form. The model was tested against a number of cases and was applied to impacts in various conditions. Besides, the model was parallelized using the shared memory parallelism, OpenMP, to facilitate computation.
A set of ecosystem service indicators for European grasslands based on botanical surveys
Authors: Taugourdeau Simon , Louault Frédérique , Michelot‐Antalik Alice , Messad Samir , Munoz François , Bastianelli Denis , Carrère Pascal , Plantureux Sylvain 
Published: March 2024

AbstractBackgroundGrasslands provide a wide range of ecosystem services (ESs). However, there is currently no method for easily diagnosing the level of ESs produced. Our aim was to develop ES indicators based on botanical surveys, which are readily available data and integrative of grassland spatiotemporal variability.MethodsBased on academic knowledge and expertise, we identified several simple vegetation criteria that we aggregated using a multicriteria analysis tool to construct indicators of the level of ESs provided by grasslands. In this study, the indicators were calculated from over 2000 botanical surveys spread over a wide biogeographical gradient.ResultsAnalyses of correlation between the various indicators show that “forage supply” and “diversity conservation” were not correlated. “Forage availability” and “nitrogen availability for the vegetation” were positively linked together and negatively linked to the robustness of the plant community to extreme events. A temporal approach highlights that the “biodiversity conservation” score decreased from 1970 to 2010 and that “nitrogen availability for the vegetation” was lower in 1970 and 1980 than in 2000 and 2010.ConclusionsThese results show that our aggregation method based on a large data set of botanical surveys could be appropriate for studying temporal dynamics of ESs.
Are oral cancers effectively palliated with radiotherapy? Outcomes of treatment with a modified QUAD SHOT regimen
Authors: Saha Saheli , Mallick Indranil , Mukherjee Prattusha , Chakraborty Santam , Bhattacharyya Tapesh , S Moses Arunsingh , Achari Rimpa Basu , Chatterjee Sanjoy 
Published: March 2024

AbstractBackgroundThis study assessed a palliative radiotherapy regimen using daily radiation over 4 days for three courses in inoperable head and neck cancers, emphasizing oral primary cancers.MethodsRetrospective data of 116 patients treated with a daily dose of 3.6–3.7 Gy in four fractions over 4 days to a total of three courses, with a 2‐week gap after every course, were analyzed for survival outcomes. A subgroup analysis was done for oral cancer.ResultsNinety‐nine (85%) completed three courses. Overall subjective response rate was 77%. Median overall survival and progression‐free survival were 12 months (95% confidence interval [CI]: 8–20) and 8 months (95% CI: 6–10), with numerically higher overall survival in oral cancer. The treatment was well tolerated, with no on‐treatment hospitalization or grade 3–4 toxicities.ConclusionThe modified QUAD SHOT regimen is practical for palliation in head and neck cancers.
Association of BMI and incidence of type 2 diabetes in Saudi population
Authors: AlJabr Qasem , Alalawi Mohammed , Aldhneen Baqer , Gharash Ali Al , Aldabbab Mohammed , Aldabbab Habib , Bu‐Khamseen Ali , Alkattan Abdullah , Sayafi Abdullah Al 
Published: March 2024

AbstractObjectiveThe study aims to identify the optimal body mass index (BMI) cut‐off for obesity based on the risk of developing type 2 diabetes among the general population visiting primary health care in Saudi Arabia.MethodsA cross‐sectional study was conducted in Al‐Ahsa City, Saudi Arabia, from January to June 2022. The study included Saudi citizens aged 35 and older who had not previously or currently been diagnosed with type 2 diabetes. Data were collected through electronic health records from 48 primary healthcare centers. The variables derived from medical records were age, gender, HbA1c, weight, and height.ResultsThe BMI mean among nondiabetic, prediabetic, and diabetic groups were 29.6 ± 6.2, 31.2 ± 6.6, and 31.7 ± 6.9 kg/m2, respectively. The BMI of the prediabetic and diabetic males were 30.1 ± 6.3 and 30.5 ± 6.5 kg/m2, respectively, and the BMI of the pre‐diabetic and diabetic females were 31.9 ± 6.6 and 32.8 ± 7 kg/m2, respectively.ConclusionThe current study correlated the result of HbA1c levels with BMI cut‐off values as a modifiable risk factor for developing type 2 diabetes among the Al‐Ahsa population in Saudi Arabia. The BMI mean among nondiabetic, prediabetic, and diabetic groups were 29.6 ± 6.2, 31.2 ± 6.6, and 31.7 ± 6.9 kg/m2, respectively. This study provided a list of BMI values as cut‐off points with their sensitivity and specificity measures so the policymaker could utilize them. The best cut‐off point could be decided based on cost‐effective analysis. Further studies in the future might help evaluate the efficacy of screening programs and the association between BMI and other types of diabetes.
Analysis of seawater intrusion triggered under different pumping well layout schemes based on a numerical model
Authors: Huang Lei , Shu Longcang , Lu Chengpeng , Liu Bo 
Published: March 2024

AbstractSeawater intrusion (SWI) is a consequence of communication between the ocean and inland groundwater entailed by overexploitation and has been a global issue harming production, life and ecology in coastal regions. This paper established a numerical model to identify SWI features in a wider space under different pumping‐well layouts based on the number of wells (N), distance between the coastline and wells (Dcw), and distance between wells (Dww) and further researched the influence of the location of the screen (Ls) and calculated S as an index inferring the SWI degree. An evaluation index (EI) was proposed considering two contradictory parameters: the corresponding total critical pumping rate (Qc) indicated the critical situation in which saltwater was almost pumped, played a good role as the resource function, and S referred the negative environmental impact. Sensitivity analysis was performed to explore the relationship between the evaluation indexes and the parameters of pumping well layouts. The results revealed how seawater intruded inland groundwater under different pumping well layouts and the anthropogenic impact factors influencing the SWI process. Sensitivity analysis verified that Dcw was the key factor in optimizing pumping well layouts to maximize the quantity of groundwater resources and minimize the environmental damage of SWI. Research on Ls revealed that a higher location of the screen of the well could effectively abate SWI. This research fully explained SWI characteristics under different pumping well layouts and proposed the key factors during coastal groundwater exploitation work, which enhanced the understanding of SWI and contributed to the arrangement of real‐world water pumping activities in coastal regions.