Hydrogen Nuclei Research Articles

Quantum Effects of Hydrogen Nuclei on the Nuclear Magnetic Shielding Tensor of Ice Ih.

Ice is the most fundamental hydrogen-bonded system in which the hydrogen nuclear quantum effect significantly impacts the structure and relevant thermochemical and spectroscopic properties. While ice was experimentally investigated using proton nuclear magnetic resonance spectroscopy more than 40 years ago, the corresponding theoretical investigations have been rarely reported due to the difficulty in evaluating how the proton nuclear quantum effect influences the spectral characteristics of such a condensed material. In this study, we applied a combination of the ONIOM and multicomponent molecular orbital (MC_MO) methods for calculating the anisotropic and isotropic components of the nuclear magnetic shielding tensor of the hexagonal ice crystal to quantify the effects of nuclear quantum fluctuations on the spectroscopic properties of ice. The nuclear magnetic shielding values computed by incorporating the hydrogen nuclear quantum effect reasonably agree with the experimental values. The nuclear quantum effects were found to increase the anisotropic component of the magnetic shielding tensor while decreasing the isotropic component. Such a difference can be explained by their distinct dependence on the electrostatic field and hydrogen-bonding structural parameters.

PUPC-GANs: A Novel Image Conversion Model using Modified CycleGANs in Healthcare

Introduction: Magnetic Resonance Imaging (MRI) and Computed Tomography (CT) both have their areas of specialty in the medical imaging world. MRI is considered to be a safer modality as it exploits the magnetic properties of the hydrogen nucleus. Whereas a CT scan uses multiple X-rays, which is known to contribute to carcinogenesis and is associated with affecting the patient's health. Methods: In scenarios, such as radiation therapy, where both MRI and CT are required for medical treatment, a unique approach to getting both scans would be to obtain MRI and generate a CT scan from it. Current deep learning methods for MRI to CT synthesis purely use either paired data or unpaired data. Models trained with paired data suffer due to a lack of availability of wellaligned data. Results: Training with unpaired data might generate visually realistic images, although it still does not guarantee good accuracy. To overcome this, we proposed a new model called PUPCGANs (Paired Unpaired CycleGANs), based on CycleGANs (Cycle-Consistent Adversarial Networks). Conclusion: This model is capable of learning transformations utilizing both paired and unpaired data. To support this, a paired loss is introduced. Comparing MAE, MSE, NRMSE, PSNR, and SSIM metrics, PUPC-GANs outperform CycleGANs.

Nuclear-Electronic Orbital Quantum Dynamics of Plasmon-Driven H2 Photodissociation.

Leveraging localized surface plasmon resonances of metal nanoparticles to trigger chemical reactions is a promising approach for heterogeneous catalysis. First-principles modeling of such processes is challenging due to the large number of electrons and electronic excited states as well as the significance of nuclear quantum effects when hydrogen is involved. Herein, the nonadiabatic nuclear-electronic quantum dynamics of plasmon-induced H2 photodissociation near an Al13- cluster is simulated with real-time nuclear-electronic orbital time-dependent density functional theory (RT-NEO-TDDFT). This approach propagates the nonequilibrium quantum dynamics of both electrons and protons. The plasmonic oscillations are shown to inject hot electrons into the antibonding orbital of H2, thereby inducing H2 dissociation. The quantum mechanical treatment of the hydrogen nuclei leads to faster H2 photodissociation and slightly larger isotope effects. Analysis of the nonequilibrium electronic density suggests that these findings stem from enhanced excited-state electronic coupling between the plasmonic mode and the H2 antibonding orbital due to proton delocalization or zero-point energy effects. Given the low computational overhead for including nuclear quantum effects with the RT-NEO-TDDFT approach, this work paves the way for simulating nonadiabatic nuclear-electronic quantum dynamics in other plasmonic systems.

Laboratory and astronomical discovery of the cyanovinyl radical H2CCCN

We report the first laboratory and interstellar detection of the α-cyano vinyl radical (H2CCCN). This species was produced in the laboratory by an electric discharge of a gas mixture of vinyl cyanide, CH2CHCN, and Ne. Its rotational spectrum was characterized using a Balle-Flygare narrowband-type Fourier-transform microwave spectrometer operating in the frequency region of 8–40 GHz. The observed spectrum shows a complex structure due to tunneling splittings between two torsional sublevels of the ground vibronic state, 0+ and 0−, derived from a large-amplitude inversion motion. In addition, the presence of two equivalent hydrogen nuclei makes it necessary to discern between ortho- and para-H2CCCN. A least-squares analysis reproduces the observed transition frequencies with a standard deviation of ca. 3 kHz. Using the laboratory predictions, this radical was detected in the cold dark cloud TMC-1 using the Yebes 40 m telescope and the QUIJOTE1 line survey. The 40, 4-30, 3 and 50, 5-40, 4 rotational transitions, composed of several hyperfine components, were observed in the 31.0–50.4 GHz range. Adopting a rotational temperature of 6 K, we derived a column density of (1.4±0.2)×1011 cm−2 and (1.1±0.2)×1011 cm−2 for ortho-H2CCCN and para-H2CCCN, respectively. The reaction of C + CH3CN emerges as the most likely route to H2CCCN in TMC-1, and possibly that of N + CH2CCH as well.

Cardiac Magnetic Resonance Imaging in a 7 Tesla Magnetic Field: Initial Experience with Hydrogen and Sodium Nuclei.

Cardiac Magnetic Resonance Imaging in a 7 Tesla Magnetic Field: Initial Experience with Hydrogen and Sodium Nuclei.

Bonding and Acidity of the Formal Hydride in the Prototypical Au9 (PPh3 )8 H2+ Nanocluster.

The role of hydrogen atoms as surface ligands on metal nanoclusters is of profound importance but remains difficult to directly study. While hydrogen atoms often appear to be incorporated formally as hydrides, evidence suggests that they donate electrons to the cluster's delocalized superatomic orbitals and may consequently behave as acidic protons that play key roles in synthetic or catalytic mechanisms. Here we directly test this assertion for the prototypical Au9 (PPh3 )8 H2+ nanocluster, formed by addition of a hydride to the well-characterized Au9 (PPh3 )8 3+ . Using gas-phase infrared spectroscopy, we were able to unambiguously isolate Au9 (PPh3 )8 H2+ and Au9 (PPh3 )8 D2+ , revealing an Au-H stretching mode at 1528 cm-1 that shifts to 1038 cm-1 upon deuteration. This shift is greater than the maximum expected for a typical harmonic potential, suggesting a potential governing cluster-H bonding that has some square-well character consistent with the hydrogen nucleus behaving as a metal atom in the cluster core. Complexing this cluster with very weak bases reveals a redshift of 37 cm-1 in the Au-H vibration, consistent with those typically seen for moderately acidic groups in gas phase molecules and providing an estimate of the acidity of Au9 (PPh3 )8 H2+ , at least with regard to its surface reactivity.

Bonding and Acidity of the Formal Hydride in the Prototypical Au9(PPh3)8H2+ Nanocluster

AbstractThe role of hydrogen atoms as surface ligands on metal nanoclusters is of profound importance but remains difficult to directly study. While hydrogen atoms often appear to be incorporated formally as hydrides, evidence suggests that they donate electrons to the cluster's delocalized superatomic orbitals and may consequently behave as acidic protons that play key roles in synthetic or catalytic mechanisms. Here we directly test this assertion for the prototypical Au9(PPh3)8H2+ nanocluster, formed by addition of a hydride to the well‐characterized Au9(PPh3)83+. Using gas‐phase infrared spectroscopy, we were able to unambiguously isolate Au9(PPh3)8H2+ and Au9(PPh3)8D2+, revealing an Au−H stretching mode at 1528 cm−1 that shifts to 1038 cm−1 upon deuteration. This shift is greater than the maximum expected for a typical harmonic potential, suggesting a potential governing cluster‐H bonding that has some square‐well character consistent with the hydrogen nucleus behaving as a metal atom in the cluster core. Complexing this cluster with very weak bases reveals a redshift of 37 cm−1 in the Au−H vibration, consistent with those typically seen for moderately acidic groups in gas phase molecules and providing an estimate of the acidity of Au9(PPh3)8H2+, at least with regard to its surface reactivity.

Redox ferrocenylseleno compounds modulate longitudinal and transverse relaxation times of FNPs-Gd MRI contrast agents for multimodal imaging and photo-Fenton therapy.

Developing a feasible way to feature longitudinal (T1) and transverse (T2) relaxation performance of contrast agents for magnetic resonance imaging (MRI) is important in cancer diagnosis and therapy. Improved accessibility to water molecule is essential for accelerating the relaxation rate of water protons around the contrast agents. Ferrocenyl compounds have reversible redox property for modulating the hydrophobicity/hydrophilicity of assemblies. Thus, they could be the candidates that can change water accessibility to the contrast agent surface. Herein, we incorporated ferrocenylseleno compound (FcSe) with Gd3+-based paramagnetic UCNPs, to obtain FNPs-Gd nanocomposites using T1-T2 MR/UCL trimodal imaging and simultaneous photo-Fenton therapy. When the surface of NaGdF4:Yb,Tm UNCPs was ligated by FcSe, the hydrogen bonding between hydrophilic selenium and surrounding water molecules accelerated their proton exchange to initially endow FNPs-Gd with high r1 relaxivity. Then, hydrogen nuclei from FcSe disrupted the homogeneity of the magnetic field around the water molecules. This facilitated T2 relaxation and resulted in enhanced r2 relaxivity. Notably, upon the near-infrared light-promoted Fenton-like reaction in the tumor microenvironment, hydrophobic ferrocene(II) of FcSe was oxidized into hydrophilic ferrocenium(III), which further increased the relaxation rate of water protons to obtain r1=1.90±0.12 mM-1 s-1 and r2=12.80±0.60 mM-1 s-1. With an ideal relaxivity ratio (r2/r1) of 6.74, FNPs-Gd exhibited high contrast potential of T1-T2 dual-mode MRI in vitro and in vivo. This work confirms that ferrocene and selenium are effective boosters that enhance the T1-T2 relaxivities of MRI contrast agents, which could provide a new strategy for multimodal imaging-guided photo-Fenton therapy of tumors. STATEMENT OF SIGNIFICANCE: T1-T2 dual-mode MRI nanoplatform with tumor-microenvironment-responsive features has been an attractive prospect. Herein, we designed redox ferrocenylseleno compound (FcSe) modified paramagnetic Gd3+-based UCNPs, to modulate T1-T2 relaxation time for multimodal imaging and H2O2-responsive photo-Fenton therapy. Selenium-hydrogen bond of FcSe with surrounding water molecules facilitated water accessibility for fast T1 relaxation. Hydrogen nucleus in FcSe perturbed the phase coherence of water molecules in an inhomogeneous magnetic field and thus accelerated T2 relaxation. In tumor microenvironment, FcSe was oxidized into hydrophilic ferrocenium via NIR light-promoted Fenton-like reaction which further increased both T1 and T2 relaxation rates; Meanwhile, the released toxic •OH performed on-demand cancer therapy. This work confirms that FcSe is an effective redox mediate for multimodal imaging-guided cancer therapy.

Spatially resolved polymer mobilization revisited – Three-dimensional, UltraShort Echo Time (3D UTE) magnetic resonance imaging of sodium alginate matrix tablets

HypothesisThree-dimensional 1H UltraShort Echo Time magnetic resonance imaging (1H 3D UTE MRI) of the matrix tablet made of hydrophilic polymer hydrated in heavy water (D2O) will allow investigation of the hydration-induced spatiotemporal evolution of the material originally included in the matrix tablet during manufacturing (i.e., polymer chains and bound water). ExperimentsThe oblong-shaped sodium alginate matrix tablets were used to verify the hypothesis. The matrix was measured before and during hydration in D2O for up to 2 h using the 1H 3D UTE MRI. Five echo times (first at 20 μs) were used, resulting in five three-dimensional images (one image for each echo time). In chosen cross-sections, two parametric images, i.e., amplitude and T2* relaxation time maps, were calculated using “pixel-by-pixel” mono-exponential fitting. FindingsThe regions of the alginate matrix with T2* shorter than 600 μs were analyzed before (air-dry matrix) and during hydration (parametric, spatiotemporal analysis). During the study, only hydrogen nuclei (protons) pre-existing in the air-dry sample (polymer and bound water) were monitored because the hydration medium (D2O) was not visible. As a result, it was found that morphological changes in regions having T2* shorter than 300 μs were the effect of fast initial water ingress into the core of the matrix and subsequent polymer mobilization (early hydration providing additional 5% w/w hydration medium content relating to air-dry matrix). In particular, evolving layers in T2* maps were detected, and a fracture network was formed shortly after the matrix immersion in D2O. The current study presented a coherent picture of polymer mobilization accompanied by local polymer density decrease. We concluded, that the T2* mapping using 3D UTE MRI can effectively be applied as a polymer mobilization marker.

Accurate calculation of tunneling splittings in water clusters using path-integral based methods.

Tunneling splittings observed in molecular rovibrational spectra are significant evidence for tunneling motion of hydrogen nuclei in water clusters. Accurate calculations of the splitting sizes from first principles require a combination of high-quality inter-atomic interactions and rigorous methods to treat the nuclei with quantum mechanics. Many theoretical efforts have been made in recent decades. This Perspective focuses on two path-integral based tunneling splitting methods whose computational cost scales well with the system size, namely, the ring-polymer instanton method and the path-integral molecular dynamics (PIMD) method. From a simple derivation, we show that the former is a semiclassical approximation to the latter, despite that the two methods are derived very differently. Currently, the PIMD method is considered to be an ideal route to rigorously compute the ground-state tunneling splitting, while the instanton method sacrifices some accuracy for a significantly smaller computational cost. An application scenario of such a quantitatively rigorous calculation is to test and calibrate the potential energy surfaces of molecular systems by spectroscopic accuracy. Recent progress in water clusters is reviewed, and the current challenges are discussed.

A Constraint on the Amount of Hydrogen from the CO Chemistry in Debris Disks

The faint CO gases in debris disks are easily dissolved into C by UV irradiation, while CO can be reformed via reactions with hydrogen. The abundance ratio of C/CO could thus be a probe of the amount of hydrogen in the debris disks. We conduct radiative transfer calculations with chemical reactions for debris disks. For a typical dust-to-gas mass ratio of debris disks, CO formation proceeds without the involvement of H2 because a small amount of dust grains makes H2 formation inefficient. We find that the CO to C number density ratio depends on a combination of n H Z 0.4 χ −1.1, where n H is the hydrogen nucleus number density, Z is the metallicity, and χ is the far-UV flux normalized by the Habing flux. Using an analytic formula for the CO number density, we give constraints on the amount of hydrogen and metallicity for debris disks. CO formation is accelerated by excited H2 when either the dust-to-gas mass ratio is increased or the energy barrier of chemisorption of hydrogen on the dust surface is decreased. This acceleration of CO formation occurs only when the shielding effects of CO are insignificant. In shielded regions, the CO fractions are almost independent of the parameters of dust grains.

Operational performance parameter range in ICF propulsion theory

This paper explores the operational performance parameter range for inertial confinement fusion propulsion systems under the assumption of best case and worst case mission scenarios. This includes the spacecraft thrust, jet power and specific power. We show the derivation of the key driving equations and then simplify these with approximations for ease of domain space analysis. This includes a consideration of minimum and maximum values for jet efficiency, momentum weighting factor, nozzle divergence angle, fuel burn-up fraction, capsule mass and detonation pulse frequency. It is estimated that the range of parameter values may be of order 0.001 N–100 MN thrust, 1000 W–1,000 TW jet power, 0.01 W/kg–10 GW/kg specific power. Although this range includes values that are likely outside the realistic design space of applicability and to show this data from published designs is also examined. The analysis is considered for reaction isotopes of low mass hydrogen and helium nuclei only and does not take into account the possibility of propellant expellant augmentation, vehicle staging, design optimality or enhanced fuel reactions.

Hyperfine-resolved spectra of HDS together with a global ro-vibrational analysis.

Despite their chemical simplicity, the spectroscopic investigation of light hydrides, such as hydrogen sulfide, is challenging due to strong hyperfine interactions and/or anomalous centrifugal-distortion effects. Several hydrides have already been detected in the interstellar medium, and the list includes H2S and some of its isotopologues. Astronomical observation of isotopic species and, in particular, those bearing deuterium is important to gain insights into the evolutionary stage of astronomical objects and to shed light on interstellar chemistry. These observations require a very accurate knowledge of the rotational spectrum, which is so far limited for mono-deuterated hydrogen sulfide, HDS. To fill this gap, high-level quantum-chemical calculations and sub-Doppler measurements have been combined for the investigation of the hyperfine structure of the rotational spectrum in the millimeter- and submillimeter-wave region. In addition to the determination of accurate hyperfine parameters, these new measurements together with the available literature data allowed us to extend the centrifugal analysis using a Watson-type Hamiltonian and a Hamiltonian-independent approach based on the Measured Active Ro-Vibrational Energy Levels (MARVEL) procedure. The present study thus permits to model the rotational spectrum of HDS from the microwave to far-infrared region with great accuracy, thereby accounting for the effect of the electric and magnetic interactions due to the deuterium and hydrogen nuclei.

Self-Controlled Flashing Nuclear Fusion in Stationary Magnetized Low-Temperature Plasma

The prerequisites and mechanism for the implementation of efficient pulsed (flashing) nuclear fusion in a low-temperature hydrogen plasma with a temperature of 10 to 20 eV in a constant magnetic field are considered. It is shown for the first time that the natural very frequent alternation of the processes of ionization of atoms and recombination of ions leads to the synchronous formation of coherent correlated states of hydrogen nuclei and its isotopes. The formation of such states leads to the generation of very large fluctuations of kinetic energy (up to 10 to 100 keV) at the initial stage of each ionization event, which exists for most of the lifetime of the ionized state before ion recombination. It is shown that the relatively long duration of the existence of these fluctuations and their very large amplitude are sufficient for efficient nuclear fusion in such a magnetized low-temperature plasma.

The Universe: Search for Neutrino on Earth

Our planet is bombarded with trillions of particles, from Space from all direction called “Cosmic Rays”. The cosmic rays are made of tiny ‘elementary” particles such as photon, He, Neutrinos, Hydrogen and atomic nuclei have wide range of energies. Cosmic rays high energies suggest that they must be produced in the most energetic processes in the universe. As the cosmic rays particles have net electric charges they get deflected due to presence of geomagnetic fields during their travel and therefore do not travel in straight line. Cosmic rays particles can interact with matter and radiates at the sources to produced extremely particles called neutrino. Gamma rays radio Bursts of Electromagnetic energy in the form of gamma rays are the absolute, most energetic sources of energy known in the universe. The amount of energy that gamma ray bursts puts out in a few seconds is more than the Sun. every will in its entire life time.The neutrino, a fundamental elementary particles of nature, was born out of necessity to keep the conversvation of energy principle. In observed alpha,beta,and gamma decay. Although neutrinos are mot massless like photon of light, they have very special property. Neutrino are omnipresent in nature pass through every square centimeter of bodies without ever notice. Neutrino originate from events in the Universe such as Colloding of Black Holes,Gamma Ray Bursts from exploding stars and or violent event at core of distant Glaxies. A high energy of particles neutrino transform in to it’s particles lepton(electron,muon,ortauon).most accelerated Neutrino beam can also called muons , and few can create tauons. A detector which distinguished among these leptons can reveal the flavor of neutrino incident to charged particle current interaction because interaction involves the exchange of Boson the ‘target’ particle also change (e.g. neutron-proton).Netrinos detectors is a physics apparatus which is degined to study neutrinos, because neutrinos only weakly interact with other particles of matter, neutrino detector must very large to detect significant number of neutrinos. Confirmed extraterrestrial sources such as Sun,Super Nova1987A,

The parallel-plate resonator: An RF probe for MR and MRI studies over a wide frequency range

We explore the use of the parallel-plate resonator for the study of thin cuboid samples over a wide range of magnetic resonance frequencies. The parallel-plate resonator functions at frequencies from tens to hundreds of MHz. Seven parallel-plate resonators are presented and discussed in a frequency range from 8 to 500 MHz. Magnetic resonance experiments were performed on both horizontal and vertical bore magnet systems with lithium and hydrogen nuclei. Parallel-plate radiofrequency (RF) probes are easy to build and easy to optimize. Experiments and simulations showed good sensitivity of the parallel-plate RF probe geometry with a small decrease in sensitivity at higher frequencies.

Hydrogen-Atom Electronic Basis Sets for Multicomponent Quantum Chemistry.

Multicomponent methods are a conceptually simple way to include nuclear quantum effects into quantum chemistry calculations. In multicomponent methods, the electronic molecular orbitals are described using the linear combination of atomic orbitals approximation. This requires the selection of a one-particle electronic basis set which, in practice, is commonly a correlation-consistent basis set. In multicomponent method studies, it has been demonstrated that large electronic basis sets are required for quantum hydrogen nuclei to accurately describe electron-nuclear correlation. However, as we show in this study, much of the need for large electronic basis sets is due to the correlation-consistent electronic basis sets not being optimized to describe nuclear properties and electron-nuclear correlation. Herein, we introduce a series of correlation-consistent electronic basis sets for hydrogen atoms called cc-pVnZ-mc with additional basis functions optimized to reproduce multicomponent density functional theory protonic densities. These new electronic basis sets are shown to yield better protonic densities with fewer electronic basis functions than the standard correlation-consistent basis sets and reproduce other protonic properties such as proton affinities and protonic excitation energies, even though they were not optimized for these purposes. The cc-pVnZ-mc basis sets should enable multicomponent many-body calculations on larger systems due to the improved computational efficiency they provide for a given level of accuracy.

A specific MNDO parameterization for water.

A modified neglect of differential overlap has been parameterized specifically for water and its oligomers with the addition of polarization functions on both hydrogen and oxygen, Feynman dispersion, and a slight modification of the treatment of the hydrogen nucleus. The results show that it is possible to easily obtain good geometries and energies for hydrogen-bonded water aggregates. Data from the Benchmark Energy and Geometry Database water-cluster database were used to parameterize the new Hamiltonian for water clusters from the dimer to the decamer using MP2/aug-cc-pVDZ optimized geometries and CCSD(T)/CBS oligomerization energies. Seventy five oligomerization and rearrangement energies derived from the parameterization data are reproduced with a root mean-square error (RMSE) of 0.79kcal mol-1 and the geometries of 38 oligomers with an RMSE of 0.17 Å. Interestingly, the Feynman dispersion term adopts a role different from that intended and tunes the atomic polarizability. The implications of these results in terms of future dedicated neglect of diatomic differential overlap Hamiltonians and those that use force-field-like atom types are discussed.

Albumin-based nanosystem for dual-modality imaging-guided chem-phototherapy against immune-cold triple-negative breast cancer.

Triple-negative breast cancer is a highly aggressive and metastatic tumor; diagnosing it in the early stages is still difficult, and the prognosis for conventional radio-chemotherapy and immunotreatment is not promising due to cancer's immunosuppressive microenvironment. The utilization of protein-based nanosystem has proven to be effective in delivering agents with limited adverse effects, yet the combination of diagnosis and treatment remains a difficult challenge. This research took advantage of natural albumin and organic molecules to construct a self-assemble core-shell nanostructure combining with superparamagnetic iron oxide nanocrystals and heptamethine cyanine dye IR780 through non-covalent interactions. This nanocomposite successfully decreased the transverse relaxation time of the magnetic resonance hydrogen nucleus, resulting in outstanding T2 imaging, as well as emitting near-infrared II fluorescence, thereby the resulting dual-modality imaging tool was applied to improve diagnostic competency. It is noteworthy that the nanocomposites exhibited impressive enzyme-like catalytic and photothermal capabilities, resulting in a successful activation of the immune system to efficiently suppress distant metastatic lesions in vivo. Consequently, this nano-drug-based therapy could be an advantageous asset in reinforcing the immune system and hindering the growth and reappearance of the immune-cold breast cancer.

A fast method to infer Nuclear Magnetic Resonance based effective porosity in carbonate rocks using machine learning techniques

A better estimation of the effective porosity of the reservoir rock is a critical task for petrophysicist and well logs analyst. A majority of the current approaches to estimate the effective porosity of the reservoir rocks from well logs are based on the information of the Density-Neutron logs. These approaches usually resulted in the inaccurate estimation of the rock porosity particularly in the naturally fractured carbonates or dolomite rocks. The Nuclear Magnetic Resonance (NMR) based effective porosity is independent of the rock matrix and mineralogy, on contrary it depends on the number of hydrogen nuclei in the pore spaces of the rock. In this study, we have used six machine learning (ML) techniques to predict the NMR based effective porosity in carbonate rocks. The ML models to predict the effective porosity includes deep neural networks (DNN), random forest regressor (RF), decision trees (DT), K-Nearest Neighbors algorithm (KNN), extreme gradient boosting (XGB), and adaptive gradient boosting (AdaBoost). These models were trained on the geophysical well logs such as Gamma ray log (GR), caliper log (Cali), neutron porosity log (NPHI), photoelectric factor log (PE), and bulk density log (RHOB). A total of 4002 data points were obtained from the five wells located in the carbonate field. The tuning of ML models hyperparameters were conducted using a ‘GridSearchCv’ method. Furthermore, the K-fold cross-validation criterion was implemented to improve the accuracy of the ML models. The ML models performances were evaluated using multiple graphical and goodness of fit tests including prediction cross-plots, average absolute percentage error (AAPE), root means square error (RMSE), and coefficient of determination (R2) methods. The prediction results showed that the DNN, RF, and XGB models performed better than the other implemented ML techniques. These methods resulted in a significantly low error and high (R2). The achieved accuracy was above 85% when validated on a blind dataset. This study also offered an empirical model that can be used to quickly estimate the NMR based effective porosity using afore-mentioned well logs. The model can also be used as a standalone package that can be coupled with any logging software for quick evaluation of NMR based effective porosity.