Results 221 to 230 of about 109,183 (305)

QSPR analysis of the drugs used to treat renal failure and its complications using degree and modified reverse degree indices. [PDF]

Sci Rep
Godlin JJJ, Radha S.
europepmc   +1 more source

Comparative assessment of volume‐of‐fluid (VOF) multiphase solvers for viscoplastic flow over grooved patterned surfaces

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract Accurately simulating multiphase flows at low capillary numbers remains challenging due to spurious currents and interface discretization errors. We present a systematic comparison of four volume‐of‐fluid (VOF) solvers within the OpenFOAM framework for pressure‐driven Poiseuille–Bingham flow over grooved surfaces: interFoam with classical ...
Amir Joulaei, Alice Villette, Seyed Mohammad Taghavi   +2 more
wiley   +1 more source

Developing a QSPR model for Alzheimer's drugs using topological indices and M-polynomial: A computational study. [PDF]

Sci Rep
Akhbari MH, Movahedi F, Zameni M, Shahavi MH.   +3 more
europepmc   +1 more source

Invariant Measure and Universality of the 2D Yang–Mills Langevin Dynamic

Communications on Pure and Applied Mathematics, EarlyView.
ABSTRACT We prove that the Yang–Mills (YM) measure for the trivial principal bundle over the two‐dimensional torus, with any connected, compact structure group, is invariant for the associated renormalised Langevin dynamic. Our argument relies on a combination of regularity structures, lattice gauge‐fixing and Bourgain's method for invariant measures ...
Ilya Chevyrev, Hao Shen
wiley   +1 more source

Predictive modeling for physicochemical properties of β-lactam antibiotics through eigenvalue based topological indices and non linear regression techniques. [PDF]

Sci Rep
Yuvaraj A, Kalaimurugan G, Thamizhmaran R, Tajudeen MM, Contreras RC.   +4 more
europepmc   +1 more source

The Benjamin–Ono Equation in the Zero‐Dispersion Limit for Rational Initial Data: Generation of Dispersive Shock Waves

Communications on Pure and Applied Mathematics, EarlyView.
ABSTRACT The leading‐order asymptotic behavior of the solution of the Cauchy initial‐value problem for the Benjamin–Ono equation in L2(R)$L^2(\mathbb {R})$ is obtained explicitly for generic rational initial data u0$u_0$. An explicit asymptotic wave profile uZD(t,x;ε)$u^\mathrm{ZD}(t,x;\epsilon)$ is given, in terms of the branches of the multivalued ...
Elliot Blackstone, Louise Gassot, Patrick Gérard, Peter D. Miller   +3 more
wiley   +1 more source

Data-driven regression analysis of amylose using Sombor molecular descriptors. [PDF]

Sci Rep
Mufti ZS, Asim M, Shflot AS, Saeed ST, Younis J.   +4 more
europepmc   +1 more source

Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Linear infrared spectroscopy combined with isotope labeling and density functional theory unravels the origin of a Fermi triad in a multifunctional vibrational chromophore. Ultrafast 2DIR‐spectroscopy reports directly on the dynamics and the intramolecular vibrational energy flow pathways in the isotopically deperturbed system. Abstract Infrared probes
Claudia Gräve, Jörg Lindner, Stefan Flesch, Luis I. Domenianni, Peter Vöhringer   +4 more
wiley   +1 more source

Leveraging topological indices and machine learning for advanced prediction of antidepressant drug properties. [PDF]

Sci Rep
Zhang G, Noureen S, Azam S, Abdalla MEM, Dafaalla ME, Aslam A, Tola KA.   +6 more
europepmc   +1 more source

Landscape of Research on Accounting Scope 3 Emissions: A Review of Methodologies and Data

Corporate Social Responsibility and Environmental Management, EarlyView.
ABSTRACT Scope 3 emissions have been proposed as a critical metric for evaluating corporate carbon footprint, identifying emission sources, and developing mitigation solutions. Yet, widespread corporate reporting of Scope 3 emissions remains limited, highlighting a critical gap in both research and practice.
Zeyu Wang, Klaus Hubacek, Xin Sun, Franco Ruzzenenti   +3 more
wiley   +1 more source