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Data-Driven Improvement of Local Hybrid Functionals: Neural-Network-Based Local Mixing Functions and Power-Series Correlation Functionals.
J Chem Theory Comput
January 2025
Technische Universitát Berlin, Institut für Chemie, Theoretische Chemie/Quantenchemie, Sekr. C7, Straße des 17. Juni 135, Berlin D-10623, Germany.
Local hybrid functionals (LHs) use a real-space position-dependent admixture of exact exchange (EXX), governed by a local mixing function (LMF). The systematic construction of LMFs has been hampered over the years by a lack of exact physical constraints on their valence behavior. Here, we exploit a data-driven approach and train a new type of "n-LMF" as a relatively shallow neural network.
View Article and Find Full Text PDFDecision-making in women who considered planned oocyte cryopreservation: decision satisfaction or regret?
Reprod Biomed Online
March 2024
Boston IVF - The Eugin Group, Waltham, MA, USA; Department of Obstetrics and Gynecology, Beth Israel Deaconess Medical Center, Boston, MA, USA; Department of Obstetrics, Gynecology and Reproductive Biology, Harvard Medical School, Boston, MA, USA.
Research Question: Among women who considered planned oocyte cryopreservation, does decision regret differ between those who pursued planned oocyte cryopreservation and those who did not?
Design: A survey was e-mailed to all women who presented for an initial consultation for planned oocyte cryopreservation between January 2016 and December 2021 using a secure REDCap platform. The survey comprised questions on demographics, reproductive planning and the validated Decision Regret Scale (DRS). Univariable and multivariable models were fitted to compare decision regret in the group who had proceeded with planned oocyte cryopreservation with the group who had not.
The Ability of Healthcare Professionals to Predict Patient Outcomes Following Bariatric Surgery.
J Surg Res
January 2025
Department of Surgery, Indiana University School of Medicine, Indianapolis, Indiana. Electronic address:
Introduction: Patients with obesity seeking bariatric surgery undergo an extensive evaluation by a multidisciplinary team of healthcare professionals' (HCPs) to assess patient compliance among other factors and determine their eligibility for surgery. However, the HCPs' assessments are not devoid of bias that may affect eligibility and preoperative decisions. This study aimed to investigate team members' ability to predict patient outcomes following bariatric surgery.
View Article and Find Full Text PDFIdentification of core genes related to exosomes and screening of potential targets in periodontitis using transcriptome profiling at the single-cell level.
BMC Oral Health
January 2025
Department of Stomatology, People's Hospital of Xinjiang Autonomous Region, Urumqi City, China.
Background: The progression and severity of periodontitis (PD) are associated with the release of extracellular vesicles by periodontal tissue cells. However, the precise mechanisms through which exosome-related genes (ERGs) influence PD remain unclear. This study aimed to investigate the role and potential mechanisms of key exosome-related genes in PD using transcriptome profiling at the single-cell level.
View Article and Find Full Text PDFRelationship between myocardial fibrosis and left bundle branch block. Does it exist?
Cardiovasc Pathol
December 2024
Chazov National Medical Research Center of Cardiology 121552, Academician Chazov str., 15a, Moscow, Russia.
Aim: to assess the relation of focal and diffuse left ventricular (LV) fibrosis to left bundle branch block (LBBB).
Materials And Methods: 60 patients with dilated cardiomyopathy and LBBB (DCM-LBBB), 50 DCM-nonLBBB patients, 15 patients with LBBB and structurally normal heart (idiopathic LBBB) and 10 healthy volunteers (HV) underwent cardiovascular magnetic resonance (CMR) with late gadolinium enhancement (LGE). LGE LV images were post-proceeded for core scar (CS) and gray zone (GZ) calculation.
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