prediction

Texas women's basketball preview, prediction: How to watch Longhorns' game against Lamar

On Wednesday at Moody Center, a Lamar team that went 24-7 last season should provide a tougher test for the Longhorns than in their season opener.





prediction

Noninvasive diagnostic modalities and prediction models for detecting pulmonary hypertension associated with interstitial lung disease: a narrative review

Pulmonary hypertension (PH) is highly prevalent in patients with interstitial lung disease (ILD) and is associated with increased morbidity and mortality. Widely available noninvasive screening tools are warranted to identify patients at risk for PH, especially severe PH, that could be managed at expert centres. This review summarises current evidence on noninvasive diagnostic modalities and prediction models for the timely detection of PH in patients with ILD. It critically evaluates these approaches and discusses future perspectives in the field. A comprehensive literature search was carried out in PubMed and Scopus, identifying 39 articles that fulfilled inclusion criteria. There is currently no single noninvasive test capable of accurately detecting and diagnosing PH in ILD patients. Estimated right ventricular pressure (RVSP) on Doppler echocardiography remains the single most predictive factor of PH, with other indirect echocardiographic markers increasing its diagnostic accuracy. However, RVSP can be difficult to estimate in patients due to suboptimal views from extensive lung disease. The majority of existing composite scores, including variables obtained from chest computed tomography, pulmonary function tests and cardiopulmonary exercise tests, were derived from retrospective studies, whilst lacking validation in external cohorts. Only two available scores, one based on a stepwise echocardiographic approach and the other on functional parameters, predicted the presence of PH with sufficient accuracy and used a validation cohort. Although several methodological limitations prohibit their generalisability, their use may help physicians to detect PH earlier. Further research on the potential of artificial intelligence may guide a more tailored approach, for timely PH diagnosis.




prediction

Interoceptive inference and prediction in food-related disorders [Special Section: Symposium Outlook]

The brain's capacity to predict and anticipate changes in internal and external environments is fundamental to initiating efficient adaptive responses, behaviors, and reflexes that minimize disruptions to physiology. In the context of feeding control, the brain predicts and anticipates responses to the consumption of dietary substances, thus driving adaptive behaviors in the form of food choices, physiological preparation for meals, and engagement of defensive mechanisms. Here, we provide an integrative perspective on the multisensory computation between exteroceptive and interoceptive cues that guides feeding strategy and may result in food-related disorders.




prediction

Characterization and Prediction of Organic Anion Transporting Polypeptide 1B Activity in Prostate Cancer Patients on Abiraterone Acetate Using Endogenous Biomarker Coproporphyrin I [Articles]

Organic anion transporting polypeptide (OATP) 1B1 and OATP1B3 are important hepatic transporters. We previously identified OATP1B3 being critically implicated in the disposition of abiraterone. We aimed to further investigate the effects of abiraterone on the activities of OATP1B1 and OATP1B3 utilizing a validated endogenous biomarker coproporphyrin I (CP-I). We used OATP1B-transfected cells to characterize the inhibitory potential of abiraterone against OATP1B-mediated uptake of CP-I. Inhibition constant (Ki) was incorporated into our physiologically based pharmacokinetic (PBPK) modeling to simulate the systemic exposures of CP-I among cancer populations receiving either our model-informed 500 mg or clinically approved 1000 mg abiraterone acetate (AA) dosage. Simulated data were compared with clinical CP-I concentrations determined among our nine metastatic prostate cancer patients receiving 500 mg AA treatment. Abiraterone inhibited OATP1B3-mediated, but not OATP1B1-mediated, uptake of CP-I in vitro, with an estimated Ki of 3.93 μM. Baseline CP-I concentrations were simulated to be 0.81 ± 0.26 ng/ml and determined to be 0.72 ± 0.16 ng/ml among metastatic prostate cancer patients, both of which were higher than those observed for healthy subjects. PBPK simulations revealed an absence of OATP1B3-mediated interaction between abiraterone and CP-I. Our clinical observations confirmed that CP-I concentrations remained comparable to baseline levels up to 12 weeks post 500 mg AA treatment. Using CP-I as an endogenous biomarker, we identified the inhibition of abiraterone on OATP1B3 but not OATP1B1 in vitro, which was predicted and observed to be clinically insignificant. We concluded that the interaction risk between AA and substrates of OATP1Bs is low.

SIGNIFICANCE STATEMENT

The authors used the endogenous biomarker coproporphyrin I (CP-I) and identified abiraterone as a moderate inhibitor of organic anion transporting polypeptide (OATP) 1B3 in vitro. Subsequent physiologically based pharmacokinetic (PBPK) simulations and clinical observations suggested an absence of OATP1B-mediated interaction between abiraterone and CP-I among prostate cancer patients. This multipronged study concluded that the interaction risk between abiraterone acetate and substrates of OATP1Bs is low, demonstrating the application of PBPK-CP-I modeling in predicting OATP1B-mediated interaction implicating abiraterone.




prediction

Early Prediction and Impact Assessment of CYP3A4-Related Drug-Drug Interactions for Small-Molecule Anticancer Drugs Using Human-CYP3A4-Transgenic Mouse Models [Articles]

Early detection of drug-drug interactions (DDIs) can facilitate timely drug development decisions, prevent unnecessary restrictions on patient enrollment, resulting in clinical study populations that are not representative of the indicated study population, and allow for appropriate dose adjustments to ensure safety in clinical trials. All of these factors contribute to a streamlined drug approval process and enhanced patient safety. Here we describe a new approach for early prediction of the magnitude of change in exposure for cytochrome P450 (P450) CYP3A4-related DDIs of small-molecule anticancer drugs based on the model-based extrapolation of human-CYP3A4-transgenic mice pharmacokinetics to humans. Victim drugs brigatinib and lorlatinib were evaluated with the new approach in combination with the perpetrator drugs itraconazole and rifampicin. Predictions of the magnitude of change in exposure deviated at most 0.99- to 1.31-fold from clinical trial results for inhibition with itraconazole, whereas exposure predictions for the induction with rifampicin were less accurate, with deviations of 0.22- to 0.48-fold. Results for the early prediction of DDIs and their clinical impact appear promising for CYP3A4 inhibition, but validation with more victim and perpetrator drugs is essential to evaluate the performance of the new method.

SIGNIFICANCE STATEMENT

The described method offers an alternative for the early detection and assessment of potential clinical impact of CYP3A4-related drug-drug interactions. The model was able to adequately describe the inhibition of CYP3A4 metabolism and the subsequent magnitude of change in exposure. However, it was unable to accurately predict the magnitude of change in exposure of victim drugs in combination with an inducer.




prediction

Validation of an Artificial Intelligence-Based Prediction Model Using 5 External PET/CT Datasets of Diffuse Large B-Cell Lymphoma

The aim of this study was to validate a previously developed deep learning model in 5 independent clinical trials. The predictive performance of this model was compared with the international prognostic index (IPI) and 2 models incorporating radiomic PET/CT features (clinical PET and PET models). Methods: In total, 1,132 diffuse large B-cell lymphoma patients were included: 296 for training and 836 for external validation. The primary outcome was 2-y time to progression. The deep learning model was trained on maximum-intensity projections from PET/CT scans. The clinical PET model included metabolic tumor volume, maximum distance from the bulkiest lesion to another lesion, SUVpeak, age, and performance status. The PET model included metabolic tumor volume, maximum distance from the bulkiest lesion to another lesion, and SUVpeak. Model performance was assessed using the area under the curve (AUC) and Kaplan–Meier curves. Results: The IPI yielded an AUC of 0.60 on all external data. The deep learning model yielded a significantly higher AUC of 0.66 (P < 0.01). For each individual clinical trial, the model was consistently better than IPI. Radiomic model AUCs remained higher for all clinical trials. The deep learning and clinical PET models showed equivalent performance (AUC, 0.69; P > 0.05). The PET model yielded the highest AUC of all models (AUC, 0.71; P < 0.05). Conclusion: The deep learning model predicted outcome in all trials with a higher performance than IPI and better survival curve separation. This model can predict treatment outcome in diffuse large B-cell lymphoma without tumor delineation but at the cost of a lower prognostic performance than with radiomics.




prediction

Initial Experience with [177Lu]Lu-PSMA-617 After Regulatory Approval for Metastatic Castration-Resistant Prostate Cancer: Efficacy, Safety, and Outcome Prediction

[177Lu]Lu-PSMA-617 was approved by the U.S. Food and Drug Administration for patients with prostate-specific membrane antigen (PSMA)–positive metastatic castration-resistant prostate cancer (mCRPC). Since the time of regulatory approval, however, real-world data have been lacking. This study investigated the efficacy, safety, and outcome predictors of [177Lu]Lu-PSMA-617 at a major U.S. academic center. Methods: Patients with mCRPC who received [177Lu]Lu-PSMA-617 at the Johns Hopkins Hospital outside clinical trials were screened for inclusion. Patients who underwent [177Lu]Lu-PSMA-617 and had available outcome data were included in this study. Outcome data included prostate-specific antigen (PSA) response (≥50% decline), PSA progression-free survival (PFS), and overall survival (OS). Toxicity data were evaluated according to the Common Terminology Criteria for Adverse Events version 5.03. The study tested the association of baseline circulating tumor DNA mutational status in homologous recombination repair, PI3K alteration pathway, and aggressive-variant prostate cancer–associated genes with treatment outcome. Baseline PSMA PET/CT images were analyzed using SelectPSMA, an artificial intelligence algorithm, to predict treatment outcome. Associations with the observed treatment outcome were evaluated. Results: All 76 patients with PSMA-positive mCRPC who received [177Lu]Lu-PSMA-617 met the inclusion criteria. A PSA response was achieved in 30 of 74 (41%) patients. The median PSA PFS was 4.1 mo (95% CI, 2.0–6.2 mo), and the median OS was 13.7 mo (95% CI, 11.3–16.1 mo). Anemia of grade 3 or greater, thrombocytopenia, and neutropenia were observed in 9 (12%), 3 (4%), and 1 (1%), respectively, of 76 patients. Transient xerostomia was observed in 23 (28%) patients. The presence of aggressive-variant prostate cancer–associated genes was associated with a shorter PSA PFS (median, 1.3 vs. 6.3 mo; P = 0.040). No other associations were observed between circulating tumor DNA mutational status and treatment outcomes. Eighteen of 71 (25%) patients classified by SelectPSMA as nonresponders had significantly lower rates of PSA response than patients classified as likely responders (6% vs. 51%; P < 0.001), a shorter PSA PFS (median, 1.3 vs. 6.3 mo; P < 0.001), and a shorter OS (median, 6.3 vs. 14.5 mo; P = 0.046). Conclusion: [177Lu]Lu-PSMA-617 offered in a real-world setting after regulatory approval in the United States demonstrated antitumor activity and a favorable toxicity profile. Artificial-intelligence–based analysis of baseline PSMA PET/CT images may improve patient selection. Validation of these findings on larger cohorts is warranted.




prediction

Lichtman blames bad 'keys' prediction on disinfo...




prediction

Forecasters defend the bureau’s predictions

THE weather bureau said it was not caught off guard by the intensity of the storm that tore through southeast Queensland on Sunday. An emergency situation was in place on the Sunshine Coast after the wild weather hit.




prediction

Is Anti-Mullerian Hormone Test a Reliable Fertility Prediction Tool?

Internet and social media sites contain misinformation on Anti-Mullerian hormone (AMH) test. However, a study finds that most medlinkwomen/medlink




prediction

Anuradha Nakshatra Prediction 2023: ಅನುರಾಧ ನಕ್ಷತ್ರದವರೇ ಆರೋಗ್ಯದ ಕಡೆ ಗಮನವಿರಲಿ

ಅನುರಾಧಾ ನಕ್ಷತ್ರದಲ್ಲಿ ಛತ್ರಿಯ ಆಕಾರವನ್ನು ತೋರಿಸುವ ಮೂರು ನಕ್ಷತ್ರಗಳಿವೆ. ಅನುರಾಧ ನಕ್ಷತ್ರ ಶನಿ ಮತ್ತು ಮಂಗಳನಿಂದ ಪ್ರಭಾವಿತವಾಗಿರುತ್ತದೆ. ಆದುದರಿಂದ ಇದು ತಮೋಗುಣಗಳನ್ನು ಸಹ ಹೊಂದಿದೆ. ಇದರಿಂದಾಗಿ ಅನುರಾಧ ನಕ್ಷತ್ರದ ವ್ಯಕ್ತಿಯು ಹೊಸತನ ಬಯಸುತ್ತಾರೆ, ವಿಭಿನ್ನವಾಗಿ ಇರಲು ಬಯಸುತ್ತಾರೆ. ಅನುರಾಧಾ ನಕ್ಷತ್ರದವರು ಆಕರ್ಷಕ ವ್ಯಕ್ತಿತ್ವದವರಾಗಿದ್ದಾರೆ. ನಿಮ್ಮ ಕಣ್ಣುಗಳು ಆಕರ್ಷಕವಾಗಿರುತ್ತದೆ. ಇವರ ದೇಹದ ಆಕೃತಿ ಆಕರ್ಷಕವಾಗಿರುತ್ತದೆ. ಈ ರಾಶಿಯಲ್ಲಿ ಜನಿಸಿದ




prediction

Jyeshta Nakshatra 2023 Predictions : ಹೊಸ ವರ್ಷ ಜ್ಯೇಷ್ಠ ನಕ್ಷತ್ರದ ಪ್ರೇಮಿಗಳಿಗೆ ಅನುಕೂಲಕರ

ಜ್ಯೇಷ್ಠ ನಕ್ಷತ್ರದವರ ಅಧಿಪತಿ ಇಂದಿರಾ. ಜ್ಯೇಷ್ಠ ನಕ್ಷತ್ರದವರ ಸ್ವಭಾವ ನೋಡುವುದಾದರೆ ಜ್ಯೇಷ್ಠ ನಕ್ಷತ್ರದವರು ಶುದ್ಧ ಮನಸ್ಸಿನವರು, ಇವರು ಯಾವುದೇ ರಹಸ್ಯ ಇಟ್ಟುಕೊಳ್ಳುವುದಿಲ್ಲ, ತಮ್ಮ ಒಳ್ಳೆಯ ಗುಣದಿಂದ ಗುರುತಿಸಿಕೊಳ್ಳುತ್ತಾರೆ. ಅದೇ ಈ ನಕ್ಷತ್ರದವರು ತುಂಬಾ ಸೆನ್ಸಿಟಿವ್ ಸ್ವಭಾವದವರು, ಅಲ್ಲದೆ ಸ್ವಲ್ಪ ಹೊಟ್ಟೆ ಕಿಚ್ಚಿನ ಸ್ವಭಾವದರು. ಬೇರೆಯವರು ನನ್ನ ಬಗ್ಗೆ ಏನು ಹೇಳುತ್ತಾರೆ ಎಂದು ಕೇಳಲು ತುಂಬಾ ಇಷ್ಟಪಡುವವರು. ಜ್ಯೇಷ್ಠ




prediction

Moola Nakshatra 2023 Predictions : ಮೂಲ ನಕ್ಷತ್ರದವರಿಗೆ ಅದ್ಭುತವಾಗಿದೆ

ಮೂಲ ನಕ್ಷತ್ರ ಸಿಂಹದ ಬಾಲದ ಆಕಾರದಲ್ಲಿರುತ್ತದೆ. ಕೇತು ಮೂಲ ನಕ್ಷತ್ರದ ಅಧಿಪತಿ. 27 ನಕ್ಷತ್ರಗಳಲ್ಲಿ 19ನೇ ನಕ್ಷತ್ರ. ಈ ನಕ್ಷತ್ರದ ಬಗ್ಗೆ ಕೆಲವು ತಪ್ಪು ಕಲ್ಪನೆಯಿದೆ. ಆದರೆ ಅವೆಲ್ಲಾ ಮೂಢನಂಬಿಕೆಗಳಾಗಿವೆ. ಈ ನಕ್ಷತ್ರದಲ್ಲಿ ಜನಿಸಿದವರು ತುಂಬಾ ಶಾಂತ ಸ್ವಭಾವದರು ಹಾಗೂ ಎಲ್ಲರನ್ನೂ ಪ್ರೀತಿಯಿಂದ ನೋಡಿಕೊಳ್ಳುವ ಸ್ವಭಾವದವರು. ಇವರಿಗೆ ಜೀವನದಲ್ಲಿ ಕೆಲವೊಂದು ಮೌಲ್ಯಗಳಿರುತ್ತದೆ, ಅದನ್ನು ತುಂಬಾ




prediction

January 2023 Numerology Predictions : 2023 ಜನವರಿ ಮಾಸದ ಸಂಖ್ಯಾಶಾಸ್ತ್ರ ಭವಿಷ್ಯ, ಯಾರಿಗಿದೆ ಅದೃಷ್ಟ?

ದಿನದ ತಯಾರಿ ಅದೇ ರೀತಿ ವಾರ, ಬಳಿಕ ತಿಂಗಳು ಹೀಗೆ ಪ್ರತಿಯೊಬ್ಬ ಯೋಜನಾಬದ್ಧ ವ್ಯಕ್ತಿಯು ತನ್ನ ಗುರಿಗಳನ್ನು ಈಡೇರಿಸಿಕೊಳ್ಳಲು ಕೆಲವೊಂದು ಯೋಜನೆಗಳನ್ನು ಹಾಕಿಕೊಳ್ಳುವುದು ಸಹಜ. ತನಗೆ ಗುರಿ ಮುಟ್ಟಲು ಸಾಧ್ಯವೇ ಎನ್ನುವುದನ್ನು ತಿಳಿಯಲು ಕೆಲವೊಮ್ಮೆ ಸಂಖ್ಯಾಶಾಸ್ತ್ರದ ಮೊರೆ ಹೋಗುತ್ತಾರೆ. 2023 ಡಿಸೆಂಬರ್‌ ತಿಂಗಳ ಸಂಖ್ಯಾಶಾಸ್ತ್ರ ಭವಿಷ್ಯವು ಹೇಗೆ ಇರಲಿದೆ, ಅದೃಷ್ಟ ಸಂಖ್ಯೆ 1ರಿಂದ 9ರವರೆಗೆ ಜನವರಿ ತಿಂಗಳ ಭವಿಷ್ಯ ಹೇಗಿದೆ ಎಂದು ಈ ಲೇಖನದಲ್ಲಿ ತಿಳಿಯಿರಿ.




prediction

Daily Horoscope, Nov 05, 2024: Libra to Pisces; Astrological Prediction for all Zodiac Signs

Horoscope Today November 05, 2024, Tuesday: Welcome to the stars' symphony on this vibrant November 05, 2024! Today unfolds a tapestry of cosmic energies, inviting each zodiac sign to dance through the day with insight and strength. Whether it's love that's




prediction

Daily Horoscope, Nov 06, 2024: Libra to Pisces; Astrological Prediction for all Zodiac Signs

Horoscope Today November 06, 2024, Wednesday: Good morning, celestial voyagers! The stars are aligned to gift us a day filled with optimistic energies and new beginnings. Today's horoscope promises enlightening insights and guidance that tune into every facet of your life.




prediction

Daily Horoscope, Nov 07, 2024: Libra to Pisces; Astrological Prediction for all Zodiac Signs

Horoscope Today November 07, 2024, Thursday: Welcome to November 07, 2024, where celestial energies encourage exploration and self-discovery. Today offers a chance to engage with the world in meaningful ways. Let’s dive into the day’s opportunities. Aries Horoscope (March




prediction

Daily Horoscope, Nov 08, 2024: Libra to Pisces; Astrological Prediction for all Zodiac Signs

Horoscope Today November 08, 2024, Friday: Today beckons with an energizing vibe that shimmers with possibility, inviting you to explore and embrace the subtleties of life. Set your intentions and let the cosmos guide you. Aries Horoscope (March 21




prediction

Daily Horoscope, Nov 09, 2024: Libra to Pisces; Astrological Prediction for all Zodiac Signs

Horoscope Today November 09, 2024, Saturday: Welcome to a fresh new day, full of potential and vibrant energy. Today, each zodiac sign will experience unique opportunities and challenges that can shape their paths. Stay curious and open to the wonders that




prediction

Daily Horoscope, Nov 10, 2024: Libra to Pisces; Astrological Prediction for all Zodiac Signs

Horoscope Today November 10, 2024, Sunday: Welcome to an uplifting day where cosmic energies align to both inspire and challenge us. Embrace the vibrant pulsations of the universe as you navigate life’s delightful mysteries. Aries Horoscope (March 21 -




prediction

Daily Horoscope, Nov 11, 2024: Libra to Pisces; Astrological Prediction for all Zodiac Signs

Horoscope Today November 11, 2024, Monday: Welcome to a day of discovery and illumination! November 11, 2024, brims with vibrant energy, offering a chance to remake the day in your image. Let the stars guide you through today’s adventures and challenges.




prediction

Daily Horoscope, Nov 12, 2024: Libra to Pisces; Astrological Prediction for all Zodiac Signs

Daily Horoscope for Today, November 12, 2024: Discover what the stars have in store for Libra to Pisces, with focused insights into love, career, and well-being.




prediction

Daily Horoscope, Nov 13, 2024: Libra to Pisces; Astrological Prediction for all Zodiac Signs

Daily Horoscope for Today, November 13, 2024: Discover what the stars have in store for Libra to Pisces, with focused insights into love, career, and well-being.




prediction

Critical insights into data curation and label noise for accurate prediction of aerobic biodegradability of organic chemicals

Environ. Sci.: Processes Impacts, 2024, 26,1780-1795
DOI: 10.1039/D4EM00431K, Paper
Open Access
Paulina Körner, Juliane Glüge, Stefan Glüge, Martin Scheringer
The newly developed classifier has a balanced accuracy of 94.2%, better than any other classification model for aerobic biodegradability so far. During the model development, some data points needed to be excluded due to a very high variance.
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

A prediction model for CO2/CO adsorption performance on binary alloys based on machine learning

RSC Adv., 2024, 14,12235-12246
DOI: 10.1039/D4RA00710G, Paper
Open Access
Xiaofeng Cao, Wenjia Luo, Huimin Liu
Machine-learning models were constructed to accurately predict CO2 and CO adsorption affinity on a wide range of binary alloying.
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

ProteoMutaMetrics: machine learning approaches for solute carrier family 6 mutation pathogenicity prediction

RSC Adv., 2024, 14,13083-13094
DOI: 10.1039/D4RA00748D, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jiahui Huang, Tanja Osthushenrich, Aidan MacNamara, Anders Mälarstig, Silvia Brocchetti, Samuel Bradberry, Lia Scarabottolo, Evandro Ferrada, Sergey Sosnin, Daniela Digles, Giulio Superti-Furga, Gerhard F. Ecker
Predict SLC6 mutation clinical pathogenicity by calculating the amino acid descriptors in different ranges with rationalization analysis of the prediction.
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

Navigating predictions at nanoscale: a comprehensive study of regression models in magnetic nanoparticle synthesis

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB02052A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Lukas Glänzer, Lennart Göpfert, Thomas Schmitz-Rode, Ioana Slabu
The transformative power of support vector regression in optimizing magnetic nanoparticle synthesis intricate relationships between process parameters and particle size, enabling the production of particles with tailored properties.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry





prediction

Make Your Oscar Predictions!

Here's a look at the expert predictions. Do send in your predictions too!




prediction

Machine-learning-accelerated structure prediction of PtSnO nanoclusters under working conditions

Phys. Chem. Chem. Phys., 2024, 26,27624-27632
DOI: 10.1039/D4CP03769C, Paper
Fanke Zeng, Wanglai Cen
Credible property calculations based on the structure prediction of multi-component catalyst clusters under working conditions via a machine-learning-accelerated genetic algorithm and ab initio thermodynamics approach.
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

Prediction of high-temperature superconductors at ambient pressure with diamond-like structures: B2CX (X = N, P)

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03755C, Paper
Yi Wan, Ying-Jie Chen, Shu-Xiang Qiao, Kai-Yue Jiang, Guo-Hua Liu, Na Jiao, Ping Zhang, Hong-Yan Lu
We predict B2CX (X = N, P) are standard phonon-mediated superconductors with Tc = 44.3–46.1 K, higher than most diamond-like superconductors. Coupling between metallic σ electrons and softened E phonons contributes greatly to their superconductivity.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

Annealing approach to form a nanotube from graphdiyne ribbon: A theoretical prediction

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03573A, Paper
Bo Song, Kun Cai, Jiao Shi, Qinghua Qin
A precisely controllable heat treatment process is critical for nanofabrication. We developed a two-step method to fabricate a graphdiyne nanotube (GNT) through heat treatment in an argon environment. Initially, we...
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

Predictions for 2023: AI, VR boom in hospitality, wellness and gaming, and Balenciaga in India

This is the time of year when that we draw up the Best Of 2022 lists, and trend forecasts for 2023. And But how do you predict the unpredictable? We start with gains from the past.



  • Life &amp; Style

prediction

Self-supervised graph neural networks for polymer property prediction

Mol. Syst. Des. Eng., 2024, 9,1130-1143
DOI: 10.1039/D4ME00088A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Qinghe Gao, Tammo Dukker, Artur M. Schweidtmann, Jana M. Weber
Self-supervised learning for polymer property prediction in scarce data domains.
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

Theoretical Prediction of Negative Thermal Expansion in Cubic VF3

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00577E, Paper
Dingfeng Yang, Dingfeng Yang, Yurou Tang, Junzhu Yang, Hongzheng Pu, Mingyu Pi, Yuanyuan Li
Designing and discovering negative thermal expansion materials is import in precisely controlled thermal expansion devices. In this work, the NTE of cubic metal fluoride VF3 with ReO3-Type was predicted by...
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

Ultrasound-assisted ionic liquid-mediated green method for synthesis of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidines, their anti-tubercular activity, molecular docking study and ADME predictions

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00563E, Paper
Sravanthi Baddepuri, G. Rama Krishna, Jyothi Kumari, Sriram Dharmarajan, Srinivas Basavoju
The aim of the study is to develop the synthesis of a novel series of potent anti-tubercular (anti-TB) activity of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidine derivatives via an efficient green approach achieved by...
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

First-principles prediction of a direct Z-scheme WSe2/HfS2 van der Waals heterostructure for overall photocatalytic water decomposition

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00267A, Paper
Yan Zhang, Zhi-Bo Qiang, Jian-Xin Ding, Kang-Xin Xie, Li Duan, Lei Ni
The direct Z-scheme heterostructures photocatalyst has been validated as an efficacious approach for addressing the energy source issues and environmental challenges. This manuscript employs the first-principles to scrutinize singular-layer WSe2...
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

Prediction methods for Phonon Transport Properties of Inorganic Crystals: from Traditional Approaches to Artificial Intelligence

Nanoscale Horiz., 2024, Accepted Manuscript
DOI: 10.1039/D4NH00487F, Review Article
yi Wei, Zhixiang Liu, Guangzhao Qin
In inorganic crystals, phonons are the elementary excitations describing the collective atomic motions. The study of phonons plays an important role in terms of understanding thermal transport behavior and acoustic...
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

A Gaussian Spot Overlap Ablation Model for Prediction of Aluminium Alloy Spectral Peak Intensity in High Pulse Repetition Frequency LIBS

J. Anal. At. Spectrom., 2024, Accepted Manuscript
DOI: 10.1039/D4JA00298A, Paper
Dongming Qu, Bohao Su, Zhongshu Bai, Biye Liu, Xueying Jin, Guanyu Chen, Yuting Fu, Tingwen Gu, Guang Yang, Qingkai Li
The use of microjoule high pulse repetition frequency (PRF) lasers as excitation sources is an important direction in the miniaturisation of laser-induced breakdown spectroscopy (LIBS) instruments. However, high PRF LIBS...
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

CrysGraphFormer: an equivariant graph transformer for prediction of lattice thermal conductivity with interpretability

J. Mater. Chem. A, 2024, 12,30707-30721
DOI: 10.1039/D4TA04495A, Paper
Zhengyu Sun, Weiwei Sun, Shaohan Li, Zening Yang, Mutian Zhang, Yang Yang, Huayun Geng, Jin Yu
We propose an innovative GNN model, CrysGraphFormer, which accurately predicts lattice thermal conductivity and enhances insights for material discovery.
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

Computational prediction of solvation structures in calcium battery electrolytes

J. Mater. Chem. A, 2024, Advance Article
DOI: 10.1039/D4TA06675H, Paper
Heonjae Jeong, Haimeng Wang, Lei Cheng
This study demonstrates comprehensive approaches for predicting solvation structures in Ca-ion battery electrolytes by integrating ab initio calculations and machine learning force fields.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




prediction

Nifty Prediction Today – October 30, 2024: Can be range bound. Stay out of the market

Nifty 50 October Futures contract can oscillate in a range of 24,300-24,600




prediction

Bank Nifty prediction today – Oct 30, 2024: Intraday trend uncertain at the moment

The key levels for Bank Nifty futures are 51,200 and 52,700




prediction

Nifty Prediction Today – November 04, 2024: Bearish. Go short now and on a rise

Nifty 50 November Futures contract can fall to 23,950 and 23,800




prediction

Bank Nifty prediction today – November 4, 2024: Bears gaining momentum

Bank Nifty futures might see a fall to 50,800




prediction

Nifty Prediction today – Nov 5, 2024: Downtrend might resume, go short

Nifty futures can decline to 23,500 in the near term




prediction

Bank Nifty Prediction today – Nov 5, 2024: Might fall off a barrier, initiate short

Bank Nifty November futures areis likely to see a decline




prediction

Nifty Prediction today – Nov 6, 2024: Momentum favours bulls, go long

Nifty futures can rise to 24,750




prediction

Bank Nifty Prediction today – Nov 6, 2024: Intraday trend uncertain, stay out

Bank Nifty futures is trading between key levels at 52,000 and 52,800