Set Of Values Research Articles

Incorporating diverse values of nature in decision-making-theory and practice.

Values play a significant role in decision-making, especially regarding nature. Decisions impact people and nature in complex ways and understanding which values are prioritised, and which are left out is an important task for improving the equity and effectiveness of decision-making. Based on work done for the IPBES Values Assessment, this paper develops a framework to support analyses of how decision-making influences nature as well as whose values get prioritised. The framework is used to analyse key areas of environmental policy: a) the present model for nature protection in market economies, b) the role of valuation in bringing nature values into decisions, and c) values embedded in environmental policy instruments, exemplified by protected areas for nature conservation and payments for ecosystem services. The analyses show that environmental policies have been established as mere additions to decision-making structures that foster economic expansion, which undermines a wide range of nature's values. Moreover, environmental policies themselves are also focused on a limited set of nature's diverse values. This article is part of the theme issue 'Bringing nature into decision-making'.

A Prerequisite for need of Harmonized Nutrient Reference Values & its Standardized Terminology for Better access of Nutritional Supplements Globally

Abstract: To reduce the risk of insufficient nutrient intake, nutrient reference values for humans are set at the average nutrient need level without a safety margin. The vast majority of nations and areas in the globe set nutritional intake guidelines for their citizens. Currently, no harmonized nutrient reference value has been published, as well as the development of standards cannot be achieved through the use of formalized frameworks or terminology. The study's objective was to create recommendations for appropriate and secure micronutrient intake ranges that could be used to inform dietary advice. As relevant to the study, we examined micronutrient data from food intake surveys from representative nations. The comparison of national standards illustrates that the level of reference values for nutrient for individual countries is dependent on variables such as methodology, data sources, physical activity exemptions, standard body weights, and age range. In the current study, iron, calcium, magnesium, vitamin A, B12, D and folate were identified as the most commonly under-consumed micronutrients. In this article, the level of six countries' standards are compared to the current reference values for nutrients. Further, numerous words for different dietary standards components are discussed, and a final set of harmonized reference nutrient intake for the dietary advice is provided.

Predicting the mechanical properties of stainless steels using Artificial Neural Networks

Abstract Knowing the material properties is of a crucial importance when planning to manufacture some structure. That is true for the steel structures, as well. Thus, for the proper planning of a certain steel part or a structure production, one must be aware of the properties of the material, to be able to make a qualified decision, which material should be used. Considering that the manufacturing of steel products is constantly growing in various branches of industry and engineering, the problem of predicting the material properties, needed to satisfy the requirements for the certain part efficient and reliable functioning, becomes an imperative in the design process. A method of predicting four material properties of the two stainless steels, by use of the artificial neural network (ANN) is presented in this article. Those properties were predicted based on the particular steels’ known chemical compositions and the corresponding material properties available in the Cambridge Educational System EDU PACK 2010 software, using neural network module of MathWorks Matlab. The method was verified by comparing the values of the material properties predicted by this method to known values of properties for the two stainless steels, X5CrNi18-10 (AISI 304), X5CrNiMo17-12-2 (AISI 316). The difference between the two sets of values was below 5% and, in some cases, even negligible.

Verification of a simplified aneurysm dimensionless flow parameter to predict intracranial aneurysm rupture status.

Aneurysm number (An) is a novel prediction tool utilising parameters of pulsatility index (PI) and aneurysm geometry. An has been shown to have the potential to differentiate intracranial aneurysm (IA) rupture status. The objective of this study is to investigate the feasibility and accuracy of An for IA rupture status prediction using Australian based clinical data. A retrospective study was conducted across three tertiary referral hospitals between November 2017 and November 2020 and all saccular IAs with known rupture status were included. Two sets of An values were calculated based on two sets of PI values previously reported in the literature. Five hundred and four IA cases were included in this study. The results demonstrated no significant difference between ruptured and unruptured status when using An ≥ 1 as the discriminator. Further analysis showed no strong correlation between An and IA subtypes. The area under the curve (AUC) indicated poor performance in predicting rupture status (AUC1=0.55 and AUC2=0.56). This study does not support An ≥ 1 as a reliable parameter to predict the rupture status of IAs based on a retrospective cohort. Although the concept of An is supported by hemodynamic aneurysm theory, further research is needed before it can be applied in the clinical setting. This study demonstrates that the novel prediction tool, An, proposed in 2020 is not reliable and that further research of this hemodynamic model is needed before it can be incorporated into the prediction of intracranial aneurysm rupture status.

Why Professional Branding: What difference will it make for me (as Gen Z)?

This article discusses professional branding that is rooted in marketing aimed at helping professionals differentiate themselves from others through personal branding to project their uniqueness and related values. It streamlines the process behind creating a robust profile that enhances simple elements of a resume by providing distinctive information to corporations or target markets. Furthermore, the article highlights the two broad theoretical underpinnings of personal branding: marketing-based and self-presentation behaviors. Marketing-based definitions frame the individual as a product to be marketed, while self-presentation-based definitions emphasize the formation of a person's public persona through strategic relationship management. Additionally, the article portrays personal branding as a defined set of individual characteristics, attributes, values, and beliefs crafted into a narrative and imagery that establishes a competitive advantage by influencing the perceptions of a targeted audience. It concludes that professional branding is an effective personal tool for individual differentiation and advancement in a highly globalized employment environment, particularly for Gen Z individuals with Arab cultural backgrounds in STEAM professional fields.

THE LIFE SKILLS OF OUTSTANDING INDEPENDENT READERS: A MULTIPLE CASE STUDY

The purpose of this multiple case study was to describe the five different cases of outstanding independent readers in the public secondary schools in Davao del Norte in terms of their life skills. The unique cases revolved around a campus journalist, a volleyball athlete, a student leader, a consistent honor student, and a student with autism spectrum. The cases were identified using maximum variation sampling, and in-depth interviews were employed to explore and gather data in this research. Salient findings were noted as to the experiences of outstanding independent readers which include early reading opportunities and support, sharing of reading abilities to other students, allocation of time for reading, and utilization of gadgets for reading. More so, their coping strategies were summarized in the following themes: enrichment of vocabulary, adoption of reading tactics, development of set of values for reading, and application of leadership skills. In the cross-case analysis of research data, all cases were generally similar. Notably, the only difference is that the student with autism preferred reading by himself unlike the other cases of students who viewed reading as a collaborative experience. It was realized that while cognitive capacities are essential in learning reading, socio-emotional aspects of outstanding readers such as their life skills must also be considered in schools. KEYWORDS: independent reading, life skills, public secondary schools, multiple case study, Philippines

Association between Doppler assessment and secondary cesarean delivery for intrapartum fetal compromise in small-for-gestational-age fetuses.

To elucidate the association between arterial and venous Doppler ultrasound parameters and the risk of secondary cesarean delivery for intrapartum fetal compromise (IFC) and neonatal acidosis in small-for-gestational-age (SGA) fetuses. This single-center, prospective, blinded, cohort study included singleton pregnancies with an estimated fetal weight (EFW) < 10th centile above 36 gestational weeks. Upon study inclusion, all women underwent Doppler ultrasound, including umbilical artery (UA) pulsatility index (PI), middle cerebral artery (MCA) PI, fetal aortic isthmus (AoI) PI, umbilical vein blood flow (UVBF), and modified myocardial performance index (mod-MPI). Primary outcome was defined as secondary cesarean section due to IFC. In total, 87 SGA pregnancies were included, 16% of which required a cesarean section for IFC. Those fetuses revealed lower UVBF corrected for abdominal circumference (AC) (5.2 (4.5-6.3) vs 7.2 (5.5-8.3), p = 0.001). There was no difference when comparing AoI PI, UA PI, ACM PI, or mod-MPI. No association was found for neonatal acidosis. After multivariate logistic regression, UVBF/AC remained independently associated with cesarean section due to IFC (aOR 0.61 [0.37; 0.91], p = 0.03) and yielded an area under the curve (AUC) of 0.78 (95% CI, 0.67-0.89). A cut-off value set at the 50th centile of UVBF/AC reached a sensitivity of 86% and specificity of 58% for the occurrence of cesarean section due to IFC (OR 8.1; 95% CI, 1.7-37.8, p = 0.003). Low levels of umbilical vein blood flow (UVBF/AC) were associated with an increased risk among SGA fetuses to be delivered by cesarean section for IFC.

#3026 Uncovering the potential of HIF-PH inhibitors to treat renal anemia

Abstract Background and Aims Hypoxia-inducible factor prolyl hydroxylase enzyme inhibitors (HIF-PHis) are a novel class of agents that were developed for the treatment of renal anemia. The agents work by stabilizing the HIF complex and stimulating endogenous erythropoietin production. This research aims to gauge the potential utilization and impact of HIF-PHis based on the perspectives of nephrologists who are based in the EU5. Method Data were collected via an independent online survey of 204 nephrologists based in the EU5 (UK, Germany, Italy, France, and Spain) in November 2023. Results EU5 nephrologists report that most dialysis and CKD non-dialysis patients with renal anemia who are on ESA therapy have an optimal response to treatment; however, a substantial proportion of patients experience a suboptimal response to treatment and up to 13% of patients across dialysis modalities are classified as ESA hypo-responders. Regardless of their geographic location, EU5 nephrologists position HIF-PHis to offer the most value in the CKD non-dialysis patient setting, with a perceived high level of opportunity (80%) for roxadustat to improve renal anemia outcomes among non-dialysis patients. Not surprisingly, the perceived advantages of an oral agent over an injectable medication for the treatment of renal anemia are more substantial for dialysis patients who are receiving home therapies (peritoneal and home hemodialysis) compared to those receiving in-center hemodialysis treatment. EU5 nephrologists also tend to believe that roxadustat represents a high level (64%) of opportunity to improve renal anemia outcomes in dialysis patients, with similar ratings observed for vadadustat (63%) in the same patient population. Specific to the use of HIF-PH inhibitors in the CKD non-dialysis setting, nephrologists are most concerned about patient compliance (51%), followed by safety compared to ESAs in general and as they relate to cardiovascular events (36%). When considering the use of HIF-PH inhibitors in the dialysis setting, nephrologists express similar concerns compared to the non-dialysis setting, with patient compliance (50%) ranked as the top concern, followed by safety compared to ESAs (38%), and the potential for off target effects (33%). Most EU5 nephrologists agree that HIF-PH inhibitors represent a more physiologic way of treating anemia of CKD compared to ESAs (70%) and many would like gain more clinical experience with the class of medications (63%). Current roxadustat treatment rates in dialysis are slowly increasing across the EU5 region, with slightly higher adoption in peritoneal dialysis patients (10%) compared to in-center hemodialysis patients (8%). Meanwhile, their self-reported uptake of roxadustat in CKD non-dialysis patients is also increasing over time, with the largest increase observed in CKD Stage 4 patients (9%). There is little consensus among EU5 nephrologists regarding their expected time to trial vadadustat once it is available, as nearly the same proportion of prescribers project that they will prescribe the agent to their dialysis patients within three months (36%), six months (23%), and within one year (28%). Conclusion With HIF-PHis having more of a physiologic mechanism of action, oral administration, and a similar safety profile compared to ESAs, broader adoption of the novel agents will potentially help address unmet needs and improve patient outcomes in the treatment of renal anemia for both CKD non-dialysis and dialysis patients.

Ni, Cu, Zn, Pd, Ag and Cd Tetraphenylporphyrin Ab Initio Thermochemistry: Enthalpy of Formation of ZnTPP Revisited.

Groups 10-12 metalloporphyrins have been recognized for their numerous properties essential for the development of new sensing materials. In this work, accurate gas-phase enthalpies of formation, ΔfHm0(g,298.15), are predicted for the series of Ni, Cu, Zn, Pd, Ag, and Cd tetraphenylporphyrins (MTPPs) on the basis of the reaction-based Feller-Peterson-Dixon approach and high-level ab initio DLPNO-CCSD(T) calculations. Our recently developed automatic generator of the balanced chemical reactions was employed to reduce the bias of the theoretical ΔfHm0(g,298.15) toward a particular reaction. Theoretical ΔfHm0(g,298.15) for ZnTPP (227.0 ± 3.4 kcal mol-1) does not support the previously reported experimental value of 132 ± 2 kcal mol-1. The origin of the discrepancy probably lies in the experimental solid-state ΔfHm0(ZnTPP, cr,298.15) as it stems from our theoretical evaluations of the ΔfHm0(cr,298.15) values for the entire set of transition metal TPP complexes. The large discrepancy between experiment and theory also holds when different DFT functionals (ωB97M-V, PBE0-D4, and B3LYP-D4) paired with quadruple-ζ quality basis sets are used for the theoretical calculations. Experimental revisiting of the solid-state enthalpy of formation of ZnTPP and analogue measurements for other transition metal TPPs are needed to resolve the observed discrepancy. Based on the predicted enthalpies of formation of MTPPs, the relative energies of the metal-ligand bonding are evaluated and the trends are compared to those for the complexes of the unsubstituted porphyrin with the same set of metals derived in [Can. J. Chem., 2009, 87, 1063]. According to both studies, Pd complexes exhibit the strongest bonding, while the Cd species are the least stable metallocomplexes within the considered series.

Prediction of Protein‒DNA Interface Hot Spots Based on Empirical Mode Decomposition and Machine Learning

Protein–DNA complex interactivity plays a crucial role in biological activities such as gene expression, modification, replication and transcription. Understanding the physiological significance of protein–DNA binding interfacial hot spots, as well as the development of computational biology, depends on the precise identification of these regions. In this paper, a hot spot prediction method called EC-PDH is proposed. First, we extracted features of these hot spots’ solid solvent-accessible surface area (ASA) and secondary structure, and then the mean, variance, energy and autocorrelation function values of the first three intrinsic modal components (IMFs) of these conventional features were extracted as new features via the empirical modal decomposition algorithm (EMD). A total of 218 dimensional features were obtained. For feature selection, we used the maximum correlation minimum redundancy sequence forward selection method (mRMR-SFS) to obtain an optimal 11-dimensional-feature subset. To address the issue of data imbalance, we used the SMOTE-Tomek algorithm to balance positive and negative samples and finally used cat gradient boosting (CatBoost) to construct our hot spot prediction model for protein‒DNA binding interfaces. Our method performs well on the test set, with AUC, MCC and F1 score values of 0.847, 0.543 and 0.772, respectively. After a comparative evaluation, EC-PDH outperforms the existing state-of-the-art methods in identifying hot spots.

Generalized extreme value analysis of efficient evaluation of extreme values in random media criticality calculations

The uncertainty of fuel debris criticality can be estimated by Monte Carlo criticality calculations repeated over independent replicas of some properly modelled random medium. Incomplete randomized Weierstrass function (IRWF) is a modelling framework for such calculations. Under these approaches at hand, the theme of this paper is how to efficiently analyse extreme realizations of neutron effective multiplication factor (keff) over IRWF random media replicas. To this end, a new bounded amplification (BA) technique is applied to IRWF. The numerical results clearly indicate that the BA-applied IRWF reduces a required number of random media replicas at least by an order of magnitude. To rigorously validate this efficiency gain, generalized extreme value (GEV) analysis is applied to a data set of keff values obtained without applying BA. It turns out that the extreme values of these keff values follow the Weibull distribution. Therefore, the theory of GEV guarantees the existence of an upper limit for these keff values, and the actually computed upper limit is indeed smaller than or equal to the top two keff values obtained from an order-of-magnitude reduced number of BA-applied IRWF random media replicas. This means that the efficiency gain brought by BA has been confirmed by the GEV methodology. In addition, a method of rejecting spurious estimation values due to statistical fluctuation is demonstrated concerning the extreme value index in the GEV analysis.

Novel bow-shaped local resonance acoustic metamaterials with ultra-wide low-frequency stopband: design, modeling, and testing

This paper proposes a novel bow-spring local resonance (LR) structure featuring an exceptionally wide low-frequency stopband. Unlike traditional methods reliant on heavy mass or stiffness adjustments, this structure effectively manipulates and amplifies the dynamic characteristics of negative stiffness solely by designing parameter values for the bow-spring set. Through finite element method analysis, an ultra-wide stopband ranging from 91 to 570 Hz is achieved within the LR structure. Further modification of the connection pattern with a perforated plate extends the upper edge to 686 Hz while reducing the lower edge to 76 Hz. Most notably, within the novel bow-spring LR structure, a stopband width of 610 Hz is attained, resulting in a gap-mid gap ratio of 160.1%. The numerical and experimental results demonstrate good agreement. These findings offer a new perspective and guidelines for developing LR structures with ultra-wide low-frequency stopbands, potentially finding applications in the field of low-frequency vibration and noise reduction.

Cross-Regional Crop Classification Based on Sentinel-2

Accurate crop classification is of vital importance for agricultural water management. Most researchers have achieved crop classification by model optimization in the same temporal and regional domain by adjusting the value of input features. This study aims to improve the accuracy of crop classification across temporal and spatial domains. Sentinel-2 satellite imagery is employed for crop classification training and prediction in selected farming areas of Heilongjiang Province by calculating vegetation indices and constructing sequential input feature datasets. The HUNTS filtering method was used to mitigate the influence of cloud cover, which increased the stability and completeness of the input feature data across different years. To address the issue of shifts in the input feature values during cross-scale classification, this study proposes the hypothesis testing distribution method (HTDM). This method balances the distribution of input feature values in the test set even without knowing the crop distribution, thereby enhancing the accuracy of the classification test set. The results indicate that the HTDM significantly improves prediction accuracy in cases of substantial image quality variance. In 2022, the recognition accuracy for crop types at all farms processed by the HTDM was above 87%, showcasing the strong robustness of the HTDM.

Spaycations: A Qualitative Study of Veterinarians’ Motivations And Perceived Impacts of Remote Volunteer Spay Neuter

Increasingly, veterinarians skilled in High Quality High Volume Spay Neuter (HQHVSN) are invited to volunteer their surgical services in distant low-resource communities on trips that have become casually known as “spaycations.” While these trips are numerous, there is little research on veterinarians’ motivations for participating and their perceptions of the impacts these clinics have on communities they visit. The current study was open to veterinarians who work in or are trained in HQHVSN whether or not they had been on a spaycation trip. For the purpose of this study, a spaycation is defined as an unpaid or minimally paid trip from a high resource area to a low or moderate resource country or area to provide spay neuter services that is organized by someone other than the individual surgeon. Forty-one veterinarians responded to an electronic questionnaire containing open-ended questions relating to their thoughts and experiences regarding spaycations and their impacts on the volunteer veterinarians as well as on the animals, clients, communities, veterinary practitioners, and animal populations in the areas visited. A reflexive thematic analysis was conducted in which the veterinarians’ responses were coded inductively for semantic themes using a critical realist approach. Respondents had participated in a variety of spaycations around the world over the past 20 years. Most responding veterinarians were motivated by a desire to make a difference and give back to communities in need as well as the desire to travel and to experience other cultures. Many enjoyed bonding with and learning from other vets and team members on the spaycation, and said that while the trips were exhausting they were also paradoxically energizing, and that they renewed their professional passion. Many veterinarians were concerned by the financial and time commitments associated with participating in spaycations, and these costs had prevented some veterinarians from participating. Further reasons for not participating in spaycations included concerns about stress and burnout and about the continual expectation for veterinarians to volunteer their time. Some veterinarians presented concerns about spaycations producing damaging interactions with the local communities including cultural misunderstandings, distrust, the creation of dependence, colonialism, and White Savior syndrome. Local involvement in the spay neuter event varied, with some events entirely planned and staffed locally and involving training and mentorship of local veterinary professionals and students, while other spaycations included little local involvement. Veterinarians varied in their estimation of the animal population impact of the spaycation and agreed that recurrent or ongoing interventions are necessary for appreciable and sustainable population impacts, but that health impacts on individual animals and their families were important and visible even after a single trip. Thematic analysis identified three main themes, HQHVSN is a special skill set, Colonialism and Cost and Value. Spaycations are a unique way for HQHVSN veterinarians to use their distinctive skills in communities of need. The compelling nature of these trips necessitates conscientious and culturally-sensitive leadership and planning to provide safe, sustainable, community-centered programs with a focus on long-term solutions.

Differences in health utilities between cancer patients and the general population: The case of Quebec using the SF-6Dv2

A considerable debate persists in the literature about whose preferences should be considered in the calculation of quality-adjusted life-years. Some suggest considering only the preferences of the general population, while others advocate for the consideration of those of patients or a combination of both. This study aims to inform and measure the differences in health preferences between cancer patients and the general population in Quebec. A total of 60,976 observations representing the preferences of the general population for various health states were collected and used to develop a new value set using the SF-6Dv2. This value set was generated by combining 34,299 observations with time trade-off (TTO) and 26,677 observations with discrete choice experiment (DCE). Utility scores derived from this value set were compared to those of patients' preferences from a new value set in breast and colorectal patients for the SF-6Dv2. For both patients and the general population, the ‘Pain’ dimension was the highest contributor to the utility score. However, noticeable differences were observed in the estimates. Estimates of levels 2 and 3 were generally lower for cancer patients, while they were more likely to have greater estimates in severe levels. Significant differences in utility scores were also noticed with the general population showing higher mean utility scores for the same health states. These differences increased as the health states worsened. This study sheds light on the existing differences in preferences between cancer patients and the general population of Quebec for a better consideration in healthcare decision-making.

An integrated method for gravity gradient inversion and gravity gradient depth imaging

Summary Gravity gradient data can show the structural features of geological bodies in the shallow lithosphere with higher sensitivity and resolution than conventional gravity data. Gravity gradient inversion can be applied to obtain the lithospheric density structures of geological bodies. However, as with gravity data, gravity gradient data have no inherent depth resolution. The methods of gravity gradient depth imaging and gravity gradient inversion are integrated in this study. The depth imaging method is effective for calculations without prior information and iterative computations. As the parameters in the depth weighting function should be chosen from a set of values used in inversion tests of synthetic data, which brings some uncertainties, the depth imaging results of gravity gradient are introduced into the depth weighting function. Several synthetic models are tested to demonstrate the advantages and features of the effective integrated method. Finally, the integrated method is applied to the interpretation of the GOCE satellite gravity gradient tensors over the northeastern margin of the Qinghai-Tibet Plateau. The results reveal that in the crust of the study area, the distribution of density anomalies is more in line with the mechanism of the crustal flow model, in the upper mantle of the study area, the density anomalies are mainly influenced by the high heat flow environment.

Value Sets of Business-owning Families: An Indigenous African Perspective

ABSTRACT While the literature highlights the important role played by family values in family businesses, knowledge on the nature of these values is limited or close to non-existent from certain perspectives, notably an indigenous African family business perspective. Therefore, utilizing seven indigenous Black South African family businesses as case studies, our study seeks to identify the family value sets in the business-owning families using a qualitative design. The findings show that these families uphold and teach the next-generation (NextGen) four family value sets, namely moral and ethical, economic, spiritual and religious, and cultural values. The NextGen is expected to use these value sets as they navigate their lives in and outside the family. Our study contributes to theory by identifying, developing and providing detailed insights into the nature of family values from an indigenous Black South African business-owning family perspective, and our value classification framework potentially provides other researchers with a theoretical foundation to conduct further research. Business-owning families should uphold value sets that accommodate the needs of individual family members, entire business-owning families, and their respective cultures. We also believe that non-indigenous businesses need to understand the family value sets upheld by indigenous Black African businesses to engage with them appropriately and improve business relationships.

Foundations of reasoning with uncertainty via real-valued logics

Interest in logics with some notion of real-valued truths has existed since at least Boole and has been increasing in AI due to the emergence of neuro-symbolic approaches, though often their logical inference capabilities are characterized only qualitatively. We provide foundations for establishing the correctness and power of such systems. We introduce a rich class of multidimensional sentences, with a sound and complete axiomatization that can be parameterized to cover many real-valued logics, including all the common fuzzy logics, and extend these to weighted versions, and to the case where the truth values are probabilities. Our multidimensional sentences form a very rich class. Each of our multidimensional sentences describes a set of possible truth values for a collection of formulas of the real-valued logic, including which combinations of truth values are possible. Our completeness result is strong, in the sense that it allows us to derive exactly what information can be inferred about the combinations of truth values of a collection of formulas given information about the combinations of truth values of a finite number of other collections of formulas. We give a decision procedure based on linear programming for deciding, for certain real-valued logics and under certain natural assumptions, whether a set of our sentences logically implies another of our sentences. The generality of this work, compared to many previous works on special cases, may provide insights for both existing and new real-valued logics whose inference properties have never been characterized. This work may also provide insights into the reasoning capabilities of deep learning models.

Assessment of abiotic reduction rates of organic compounds by interpretable structural factors and experimental conditions in anoxic water environments

For organic contaminants in lake sediments, aquifers, and anaerobic bioreactors, their reduction is one of the primary transformation paths in these anoxic water environments. A simple model is introduced to predict pseudo-first order rate constants (kobs) for the abiotic reduction of organic compounds featuring diverse reducible functional groups. It utilizes the largest experimental dataset of –log kobs, encompassing 59 organic compounds (278 data points). Unlike available complex quantitative structure–activity relationship (QSAR) methods, the novel approach requires both experimental conditions and structural parameters. In comparison to one of the available general QSAR methods, the new model demonstrates favorable performance. The average absolute deviation (AAD), absolute maximum deviation (ADmax), average absolute relative deviation (AARD%), and R-squared (R2) values of the estimated outputs for 54/5 training/test data sets of the new model are 0.641/1.761, 1.761/1.417, 20.52/83.87, and 0.797/0.949, respectively. On the other hand, the available general comparative QSAR method shows the AAD: 1.311/2.301, ADmax: 3.795/3.732, AARD%: 641.0/821.2, and R2: 0.003/0.447. For the test set, AAD, AARD%, ADmax, and R2 values for the new/comparative models are 0.649/2.403, 62.20/190.5, 1.215/3.732 and 0.974/0.789, respectively. In summary, the new model offers a straightforward approach for the manual calculation of –log kobs, demonstrating excellent goodness-of-fit, reliability, precision, and accuracy.

A CT based radiomics analysis to predict the CN0 status of thyroid papillary carcinoma: a two- center study

ObjectivesTo develop and validate radiomics model based on computed tomography (CT) for preoperative prediction of CN0 status in patients with papillary thyroid carcinoma (PTC).MethodsA total of 548 pathologically confirmed LNs (243 non-metastatic and 305 metastatic) two distinct hospitals were retrospectively assessed. A total of 396 radiomics features were extracted from arterial-phase CT images, where the strongest features containing the most predictive potential were further selected using the least absolute shrinkage and selection operator (LASSO) regression method. Delong test was used to compare the AUC values of training set, test sets and cN0 group.ResultsThe Rad-score showed good discriminating performance with Area Under the ROC Curve (AUC) of 0.917(95% CI, 0.884 to 0.950), 0.892 (95% CI, 0.833 to 0.950) and 0.921 (95% CI, 868 to 0.973) in the training, internal validation cohort and external validation cohort, respectively. The test group of CN0 with a AUC of 0.892 (95% CI, 0.805 to 0.979). The accuracy was 85.4% (sensitivity = 81.3%; specificity = 88.9%) in the training cohort, 82.9% (sensitivity = 79.0%; specificity = 88.7%) in the internal validation cohort, 85.4% (sensitivity = 89.7%; specificity = 83.8%) in the external validation cohort, 86.7% (sensitivity = 83.8%; specificity = 91.3%) in the CN0 test group.The calibration curve demonstrated a significant Rad-score (P-value in H-L test > 0.05). The decision curve analysis indicated that the rad-score was clinically useful.ConclusionsRadiomics has shown great diagnostic potential to preoperatively predict the status of cN0 in PTC.