Potential Maps Research Articles

Supramolecular assembly governed by tetrel, CN⋅⋅⋅π and other weak noncovalent interactions in two acrylonitrile derivatives with D-π-A topology: Crystallography, optical properties and theoretical studies

Two D-π-A acrylonitriles, (Z)-3-(4-methoxyphenyl)-2-(pyridin-4-yl)acrylonitrile (1) and (Z)-3-(4-piperidin-1-yl)-2-(pyridin-4-yl)acrylonitrile (2), were synthesized to investigate how the varying donor moieties affect their structural and optical properties. Compound 1 crystallized with two crystallographically independent molecules, each showing different orientations of the methoxy group, and exhibited herringbone molecular arrangement in the solid-state. This structure is stabilized by CH···N/π interactions, π-stacking, cyano···π stacking (CN···π) and a σ-hole tetrel bond involving the C and O atoms of the methoxy group. Compound 2 crystallized with a single molecule in the asymmetric unit and displayed columnar packing mode. This structure is stabilized intermolecular CH···N interactions, where all nitrogen atoms serve as acceptors, as well as by intermolecular CH···π interactions and π-stacking between adjacent pyridyl rings. Hirshfeld surfaces and 2D-fingerprint plots revealed the effect of donor moieties on the intermolecular interactions. The energetics of the molecular dimers observed in these structures were characterized by both CLP-PIXEL energy and DFT calculations. The nature of the tetrel bond was characterized using molecular electrostatic surface potential and deformation electron density maps. Theoretical charge density analysis was performed to characterize the noncovalent interactions in various molecular dimers of 1 and 2. The absorption spectra of compounds 1 and 2 exhibit a 40 nm red-shift in solution, attributed to the presence of the piperidyl moiety in compound 2.

FT-IR, UV–Vis, density functional theory and molecular docking studies on 3,7,11,15-Tetramethyl-2hexadecen-1-ol

The organic molecule of 3,7,11,15-Tetramethyl-2-hexadecen-1-ol is frequently present in plant chlorophyll pigment. The title compound possesses antimicrobial, antibacterial, antioxidant, anti-inflammatory, and anticancer characteristics. The 3TMH molecule are being investigated using Gas Chromatography Mass Spectrometry (GC–MS) analysis, Ultraviolet-Visible (UV–Vis), Fourier Transform Infrared Spectroscopy (FT-IR), and Density Functional Theory (DFT) approach with the Becke,3-parameter, Lee–Yang–Parr (B3LYP) method, 6–311++G (d, p) basis set is used to analyse the geometrical parameters, Highest Occupied Molecular Orbital and the Lowest Unoccupied Molecular Orbital (HOMO-LUMO), and Molecular Electrostatic Potential (MEP) mapping. In the 3TMH molecules, the computed Natural Bond Orbital (NBO) analysis exhibit the high stabilization interaction (intra-inter, hydrogen bonding, and charge delocalization) between the donor and acceptor. The UV–Vis spectra of the maximum absorption correlated with different solvents as determined by Time-Dependent Density Functional Theory (TD-DFT). According to Veda 04, the measured FT-IR spectrum and the theoretical spectra of vibrational assignment with Potential energy distribution (PED%) are in good agreement. The Electron Localization Function (ELF) and Localized Orbital Locator (LOL) mapping has provided an explanation for the chemical bonding within fragments, as well as interactions between the atoms. The strong attraction, strong repulsion, and weak interaction have been estimated Reduced Density Gradient (RDG). Furthermore, the molecular docking examined ligand-protein interaction of least binding energy 6.73 kcal/mol against anti-cancer activity.

Characterization and conformational analysis of a novel hydrazonoyltetrazole: Crystallographic and theoretical investigations of an unexpected reaction product

A new hydrazonoyltetrazole was isolated as a byproduct from a previously reported reaction, and characterized by 1H and 13C NMR spectroscopy, infrared spectroscopy, single-crystal X-ray diffraction, and high-resolution mass spectroscopy. Intermolecular interactions in the crystal state were examined by Hirshfeld surface analysis (HSA), 2D fingerprint plots, and noncovalent interaction analysis (NCI). Geometry optimization in the gaseous phase was executed at the ωB97X-D4/def2-TZVPP level of theory, and subsequent maps of molecular electrostatic potential (MEP) were generated and analyzed. The calculated MEP was in good agreement with the HSA and NCI results. Conformational analysis was performed using a CREST/CENSO protocol. Two low-energy solution conformers were obtained. To confirm the presence of the second conformer, 1H NMR spectra were calculated, the transition state connecting the two conformers was found, and their energies were obtained with the DLPNOCCSD(T) scheme. A barrier of only 4 kcal mol-1 was found between them, and their MEP maps were also created. The dispersion energies between fragments of the three structures were calculated using the local energy decomposition (LED) scheme.

Assessment of groundwater potential recharge areas using advanced decision models and spatial data: Applied to Sbeitla aquifer system, central Tunisia

Sbeitla is located in a semi-arid region, central western Tunisia, where groundwater is considered an essential resource for economic development and social well-being. The main objective of this study is the assessment of potential groundwater recharge and delineation of aquifer recharge. Structural and hydrostructural database coupled with remote sensing techniques (RST), was employed. The lateral variation of recharging zones was determined through ArcGIS software, utilizing TOPSIS approaches. Results reveal that the study area is classified in five classes, very low recharge (45%), low recharge (15%), moderate recharge (20%) and 15% of the plain have good to very good potential recharge. Predominantly located in the southern part of the Sbeitla region, these areas distribution is controlled by some natural features such as geology and geomorphology. The findings show that there are five places in the Sbeitla plain where water can soak into the ground. About 40% of the area doesn't have much water soaking in, while 15% has a little bit. Also, around 25% of the plain has medium amounts soaking in, and 20% has a lot. This tells us where water is going into the ground in Sbeitla, which helps us use it better. The potential recharge for the Sbeitla aquifer system, using TOPSIS and RST, is estimated to 13.5 Mm³/year. Although this recharging rate constitutes only 7% of the total rainfall, there is potential for improvement. TOPSIS and RST approach proves valuable for potential recharge areas mapping. This integrated approach underscores the significance of informed resource management in addressing water challenges in front to climate change. Thus, the combination of parametric methods and MCDM approaches such as TOPSIS, has shown its efficiency in decision for classifying aquifer recharge zones and will be an effective tool to assist researchers in this field.

Silica-supported Bi2O3[sbnd]Cr2O3 nanocomposite: Efficient catalyst for Pyrano[3,2-c]chromenes synthesis and DFT studies

Synthesis of a new nanocomposite catalyst, consisting of Bi and Cr loaded on silica (Bi2O3Cr2O3@SiO2), is achieved using the incipient wetness impregnation approach. This catalyst is used to synthesize Dihydropyrano[3,2-c]chromene scaffold via one-pot reaction method involves the mixture of 4-Hydroxycoumarin, Malononitrile or Ethyl cyanoacetate and different aromatic aldehydes in methanol at room temperature. The catalyst was characterized using several methods such as XRD, FT-IR, FE-SEM, and EDS. The efficacy of this heterogeneous catalyst Bi2O3Cr2O3@SiO2 was evaluated by loading different wt% of bismuth and chromium on silica. The wt% of Bi2O3Cr2O3 (2.5–1) on SiO2 was proven to be extremely suitable catalytic activity to get high yield of products (up to 98 %) in short span of time (up to 15 min) with high selectivity as outlined in the proposed mechanism. Additionally, density functional theory (DFT) studies of the Dihydropyrano[3,2-c]chromenes were conducted to elucidate their electronic properties and reactivity. It provided insights into the frontier molecular orbitals, electrostatic potential maps of these synthesized compounds, offering valuable information for future rational design of related Chromene-based molecules. The catalyst was successfully recovered and reused for up to five reaction cycles without any significant decline in its catalytic efficiency. Future work will focus on expanding the use of this catalyst for synthesizing library of bioactive compounds.

Conceptual approaches to the concept of regional potential: essence, content, classification features

The article highlights the importance of the study, due to disagreements in the theoretical and methodological aspects of considering the concept of regional potential. The analysis of current scientific publications devoted to the study of various conceptual approaches to its interpretation is carried out. The paper analyzes the formulations of the concept of "regional potential" ("regional potential") by a number of authors from the point of view of content orientation to various groups of factors. The generalization was carried out according to the internal and external characteristics, the field of activity (specialization) of the region. The author’s interpretation of the concept is given. The classification of the types of regional potential is carried out, their complex structure is presented, designed taking into account rationality and complexity. Two groups of potentials have been identified – dependent and independent. The concept of aggregate potential is highlighted, which is the final indicator of regional development. As a methodological basis, the developed approach is proposed through the compilation of maps of regional potentials, which allows to unify the order of selection of fundamental factors as the criteria for the development potential of the region. The direct and indirect influence of different types of regional potential on each other is indicated. The substantial essence of the concepts is analyzed and three main approaches to the definition of regional potential are identified – factorial, resource, and effective. The basis for the development of a more detailed study of the interrelation of regional potentials is determined and emphasis is placed on the prospects for formalizing the proposed approach in order to identify mathematical dependencies to support decision-making of strategic management of the region.

Symmetry Breaking Charge Separation in Far-Red Absorbing Bisstyryl-Bodipy Dimers

Symmetry breaking charge transfer is one of the important photo-events occurring in photosynthetic reaction centers that is responsible for initiating electron transfer leading to a long-lived charge-separated state and has been successfully employed in light-to-electricity converting optoelectronic devices. Here, we report the synthesis of far-red absorbing and emitting BODIPY-dimer to undergo symmetry-breaking charge transfer leading to charge-separated states of appreciable lifetimes in polar solvents. Compared to its monomer analog, both steady-state and time-resolved fluorescence originating from the S1 state of the dimer revealed quenching which increased with an increase in solvent polarity. The electrostatic potential map from DFT and the time-dependent DFT calculations suggested the existence of a quadrupolar type charge transfer state in polar solvents, and the singlet excited state to be involved in the charge separation process. The electrochemically determined redox gap to be smaller than the energy of the S1 state supporting thermodynamic feasibility of the envisioned symmetry-breaking charge transfer and separation. The spectrum of the charge-separated state arrived from spectroelectrochemical studies, revealing diagnostic peaks helpful for transient spectral interpretation. Finally, ultrafast transient pump-probe spectroscopy provided conclusive evidence of diabatic charge separation in polar solvents by far-red pulsed laser light irradiation. The measured lifetime of the final charge-separated states was found to be 165 ps in dichlorobenzene, 140 ps in benzonitrile, and 43 ps in dimethyl sulfoxide, revealing their significance in light energy harvesting, especially from the less-explored far-red region.

Synthesis of new two 1,2-disubstituted benzimidazole compounds: their in vitro anticancer and in silico molecular docking studies

In this study, two new molecules were synthesized from the reaction of 2-methyl-1H-benzo[d]imidazole with aryl halides in the presence of a strong base. The structures newly of synthesized 1,2-disubstituted benzimidazole compounds were characterized using spectroscopic techniques (FT-IR, 1HNMR, 13CNMR) and chromatographic technique (LC/MS). For discovering an effective anticancer drug, the developed heterocyclic compounds were screened against three different human cancer cell lines (A549, DLD-1, and L929). The results demonstrated that of IC50 values of compound 2a were higher as compared to cisplatin for the A549 and DLD-1 cell lines. The frontier molecular orbital (FMO), and molecular electrostatic potential map (MEP) analyses were studied by using DFT (density functional theory) calculations at B3LYP/6-31G** level of theory. The molecular docking studies of the synthesized compound with lung cancer protein, PDB ID: 1M17, and colon cancer antigen proteins, PDB ID: 2HQ6 were performed to compare with experimental and theoretical data. Compound 2a had shown the best binding affinity with -6.6 kcal/mol. It was observed that the theoretical and experimental studies carried out supported each other.

Integrating remote sensing and geophysical data for mapping potential gold mineralization localities at Abu Marawat area, central Eastern Desert, Egypt

Abu Marawat area in the Central Eastern Desert of Egypt is a very promising mineralization district located in the Golden Triangle area. The current study provides an integrated approach from multisource datasets including; remote sensing, airborne geophysical spectrometry and magnetic data supported by field studies and spectroscopic analyses for delineating potential mineralization localities. Several remote sensing techniques were adopted including; Band Ratios, Relative Band Depth, Mineralogical Indices, Spectral Angle Mapper, and Constrained Energy Minimization. These techniques showed that the alteration mineral assemblage is mainly, kaolinite, sericite, and iron oxides, with less abundant chlorite, epidote, and carbonates. In addition, the radiometry data were processed to map the localities with the highest possibility of potassic alteration abundance by integrating the potassium distribution, K/eTh ratio, and the F-parameter maps. The surface and subsurface linear structural features were also mapped using Digital Elevation Model (DEM) and aeromagnetic data, respectively. The surface linear structures were found exhibiting E-W and NE-SW trends, while, the subsurface structures showed dominant NW–SE trend. All the depicted fault trends match well with the local and regional geological and tectonic setting of the study area suggesting structural control on the mineralization in this area. Integration between the results obtained from both the remote sensing and the geophysical data was conducted by a GIS weighted overlay model. The obtained mineralization potentiality map highlights eight potential localities for mineralization. The accuracy of the adopted methodology was demonstrated through fieldwork and spectral analyses; several alteration indicators were observed, including quartz veins, iron oxides, kaolinite, malachite, montmorillonite, chlorite, talc, and sericite alteration indicator minerals. The adopted remote sensing-geophysical approach showed being very effective for mapping the hydrothermal gold-related alteration zones, and is recommended for other similar investigations.

From roofs to renewables: Deep learning and geographic information systems insights into a comprehensive urban solar photovoltaic assessment for Stonehaven

As urban solar photovoltaic (PV) construction emerges as a leading renewable energy technology, there is a growing focus on its implementation. However, the challenges of scarce, low-resolution, and inaccurate PV-related data sources hinder accurate assessments of urban PV potentials and are not conducive to efficient and rational smart city planning. This study tackles these challenges by introducing a mature, detailed, and accurate assessment process, taking Stonehaven as an example, aimed at leveraging limited data to mine more data and geographic information useful for guiding urban PV planning. Initially, utilise existing Digital Surface Model (DSM) and optical image data, combined with deep learning techniques and a PV potential assessment model, to comprehensively assess the PV power generation potential of the Stonehaven area. Our results demonstrate that integrating DSM significantly enhances the accuracy of roof segmentation. Furthermore, compared with DeeplabV3, U-Net performs better in roof segmentation. Additionally, the solar radiation potential (SRP) map generated by DSM highlights the superior solar radiation receiving capacity of south-facing and flat roofs. We provide a detailed PV power generation potential (PPGP) map of individual building roofs, revealing the substantial potential of this area for generating up to 1.12 × 10^7 kWh of electricity per year. Detailed and fine-grained PPGP can also help to optimise PV siting and electricity resource allocation. Furthermore, our return-on-investment period (ROIP) analysis indicates that most Stonehaven roofs have ROIPs between 8.1 and 11.3 years. The detailed ROIP distribution map can help people make informed PV investment decisions. Future research directions include enhancing data quality, refining segmentation algorithms, and exploring assisted urban energy planning analysis for smarter urban planning.

Simulation of Groundwater Potential Zone Using Geographic Information System (GIS) Through Related Factors

Groundwater is the primary water source for irrigating and drinking in dry seasons. This work was examined to assess groundwater potential area underlain by basement complex with GIS based approach of selected locations in Osogbo. The soil samples were taken and soil textural and permeability analyses were done in the laboratory. Supervised classification analysis was done on LandSAT imagery to generate Land use and a lineament map, surface analyst algorithm was applied on ASTER dam to generate elevation map. Hydraulic conductivity and overburden thickness maps were generated from the Borehole data parameters. Interpolation method was used to generate spatially spread clay, silt, sand, rainfall and hydraulic conductivity. Multi-criteria analysis was used to generate groundwater potential zone map in the study area. Specific factors were considered for groundwater potential zone. Reclassification was done on each of the considered factors and AHP model was used to assign weight to all the factors. The results of the various factors responsible for groundwater potential include lineament density 0-0.0028; sand 67.2-89.60%, silt 9.00-30.00%, clay 0.17-2.80%, permeability 0.000010-0.00002, rainfall 1304.02-1469.06mm/yr, hydraulic conductivity 0.21-0.96m/min, land use consisting of degraded forest 48.65%, riparian forest 13.05%, built up 38.29%, and water body 0.001%. However, ground water potential of the study area was assessed and classified into fair, good and very good with the coverage of 2%, 80% and 18% respectively. Conclusively, the groundwater recharge potential is very good at Ofatedo, Gbonmi and Oke-Oro locations, good at Awosuru, Gbodofon and Dagbolu locations, but fair at Mallam Tope location in Osogbo

Microdrop InkJet printed supercapacitors of graphene/graphene oxide ink for flexible electronics

The inkjet printing (IJP) technique is a highly promising technology for fabricating flexible electronics for wearable applications. The latest Microdrop IJP technology was introduced to produce flexible supercapacitors using a readily prepared graphene/graphene oxide ink. Molecular modelling concepts were conducted prior to ink formulation to investigate the interaction between graphene and GO via adsorption interactions to investigate the feasibility of adding GO to G for energy storage processes. Calculations validate that their interaction yields stable, highly reactive, and conductive structures. Molecular electrostatic potential maps reveal excellent charge distribution proposing G/GO as a potential candidate for electrochemical processes. Subsequently, GNPs/GO blend was prepared, leveraging the electric conductivity and high surface area of graphene, and the functional groups in GO to enhance graphene dispersion. Simple and interdigitated supercapacitor electrodes were fabricated without further post-printing complexities. The highly flexible interdigitated supercapacitor (100L) demonstrated notable performance with areal capacitance of 195.1 F m−2 at 0.4 A.m−2, power density of 1199.34 mW m−2, energy density of 24.91 mWh.m−2, and 80.65 % capacitance retention after 5000 cycles. The outstanding electrocapacitive performance was ascribed to GO's abundant functional groups and its 3D open structure. These factors contribute to adding a pseudocapacitive effect and enhancing charge transfer within the electrode channel-like networks.

Photovoltaics Energy Potential in the Largest Greek Cities: Atmospheric and Urban Fabric Effects, Climatic Trends Influences and Socio-Economic Benefits

This comprehensive study explores the influence of aerosols and clouds on solar radiation in the urban environments of nine of Greece’s largest cities over the decade from 2014 to 2023. Utilizing a combination of Earth Observation data, radiative transfer models, and geographic information systems, the research undertook digital surface modeling and photovoltaic simulations. The study meticulously calculated the optimal rooftop areas for photovoltaic installation in these cities, contributing significantly to their energy adequacy and achieving a balance between daily electricity production and demand. Moreover, the research provides an in-depth analysis of energy and economic losses, while also highlighting the environmental benefits. These include a reduction in pollutant emissions and a decrease in the carbon footprint, aligning with the global shift towards local energy security and the transformation of urban areas into green, smart cities. The innovative methodology of this study, which leverages open access data, sets a strong foundation for future research in this field. It opens up possibilities for similar studies and has the potential to contribute to the creation of an updated, comprehensive solar potential map for continental Greece. This could be instrumental in climate change mitigation and adaptation strategies, thereby promoting sustainable urban development and environmental preservation.

UPAYA PENERAPAN E-GOVERNMENT DINAS PENANAMAN MODAL PELAYANAN TERPADU SATU PINTU (DPMPTSP) DALAM MEMBERIKAN INFORMASI TERKAIT INVESTASI DI KABUPATEN PONOROGO (STUDI PADA WEBSITE PONOROGORO INVESTMENT SERVICE CENTER)

Through the implementation of e-Gov, the government can prepare public services that are more efficient, transparent and responsive to the needs of the community. The investment potential map in Ponorogo is an initiative of the Ponorogo Regency Government through the One-Stop Investment and Services Agency (DPMPTSP). The aim is to make it easier for investors to access or search and analyze investment opportunities in the area. The electronic basis of the investment potential map in Ponorogo is the composition of electronically based information data presentation, which can be accessed via the Ponorogo Investment Service Center (PISC) website at https://pisc.ponorogo.go.id. Qualitative methods emphasize more on the meaning and in-depth understanding of the phenomenon under study. A qualitative approach was chosen in this study because the researchers considered that the characteristics of this method matched the problems studied, namely the efforts to implement the E-Government Investment Service and One-Stop Services (DPMPTSP) in providing investment-related information in Ponorogo Regency, with case studies on the Website Ponorogo Investment Service Center. This study applies the theory of The Unified Model of Electronic Government Adoption (UMEGA) in which there are seven UMEGA E-Government conceptuals to analyze the factors that impact society to use the Ponorogo Investment Service Center Website. E-government-based educational information services at DPMPTSP Ponorogo Regency One of the e-government-based educational information services at DPMPTSP Ponorogo Regency is still at a developmental stage, namely discussing regional investment or the value of the level and capacity of services provided and how the community benefits from the services that have been provided. exist, the range of services implemented, how these services can be opened through the portal function to various services, and the convenience of users in learning how to obtain these services. The people of Ponorogo Regency have not been able to properly utilize DPMPTSP web-based information services because there are still many problems such as an inadequate number of servers and a network infrastructure that is not strong enough to access networks everywhere. Ponorogo Regency, making it difficult for the public to obtain web-based regional ranking information.

Daily sunshine grids for Austria since 1961 – combining station and satellite observations for a multi-decadal climate-monitoring dataset

Grid datasets of sunshine duration at high spatial resolution and extending over many decades are required for quantitative applications in regional climatology and environmental change (e.g., modelling of droughts and snow/ice covers, evaluation of clouds in numerical models, mapping of solar energy potentials). We present a new gridded dataset of relative (and derived absolute) sunshine duration for Austria at a grid spacing of 1 km, extending back until 1961 at daily time resolution. Challenges in the dataset construction were consistency issues in the available station data, the scarcity of long time series, and the high variation of cloudiness in the study region. The challenges were addressed by special efforts to correct evident breaks in the station series and by adopting an analysis method, which combines station data with satellite data. The methodology merges the data sources non-contemporaneously, using statistical patterns distilled over a short period, which allowed involving satellite data even for the early part of the study period. The resulting fields contain plausible mesoscale structures, which could not be resolved by the station network alone. On average, the analyses explain 47% of the spatial variance in daily sunshine duration at the stations. Evaluation revealed a slight systematic underestimation (− 1.5%) and a mean absolute error of 9.2%. The average error is larger during winter, at high altitudes, and around the 1990s. The dataset exhibits a conditional bias, which can lead to considerable systematic errors (up to 15%) when calculating sunshine-related climate indices.

Integrated remote sensing and geographic information system overlay analysis for groundwater potential evaluation using AHP and fuzzy AHP: Southern sections of the western Afar rift margin and associated rift floor

A persistent drought commonly affects the southern sections of the western Afar rift margin and the associated rift floor, leaving the populace concerned about their access to food. A comprehensive assessment and usage of the local groundwater resource is therefore essential to overcoming the ongoing drought and meeting the area's increasing demand for sustainable water. With the aid of RS, GIS, AHP, and Fuzzy AHP methods, this study aims to assess the area's groundwater potential. Lineament density, Geology,Topographic Wetness Index (TWI), Recharge, Slope, Land Use and Land Cover, Soil, and Drainage Density were created using GIS and RS techniques and are the thematic layers taken into consideration for this purpose. The weight of these themes for their relative significance to groundwater occurrence was determined using AHP and Fuzzy AHP (FAHP). Lineament density is the primary factor influencing the presence of groundwater, followed by geology, TWI, and recharge. The Very low (221.48 km2), Low (9084.46 km2), Moderate (8281.96 km2), High (1441.65 km2), and Very High (102.45 km2) groundwater potential zones (GWPZs) were delineated using the GIS-overlay analysis technique. The validation of the groundwater potential zone map was completed using the well discharge, transmissivity, and specific capacity, and the scatter plot demonstrated a strong connection with R2 values of 0.81, 0.79, and 0.80, respectively. The sensitivity index (SI) shows that lineament density and geology, which have SI values of 2.08% and 1.74%, respectively, have the greatest influence on the distributions of groundwater potentiality in the catchment, while drainage density has the least influence, with a SI value of −0.89%. By ensuring sustainable management and development, the study's findings will help with decision-making for the long-term supply of groundwater. Additionally, the approach utilized in the study can be applied to other comparable arid to semiarid regions.

A novel hybrid Wireless Integrated Sensing Detector for simultaneous EEG and MRI (WISDEM).

Concurrent recording of EEG/fMRI signals reveals cross-scale neurovascular dynamics that are crucial for elucidating fundamental linkage between function and behaviors. However, MRI scanners generate tremendous artifacts for EEG detection. Despite existing denoising methods, cabled connections to EEG receivers are susceptible to environmental fluctuations inside MRI scanners, creating baseline drifts that complicate EEG signal retrieval from the noisy background. Here, a Wireless Integrated Sensing Detector for simultaneous EEG and MRI (WISDEM) is developed to encode fMRI and EEG signals on distinct sidebands of the detector oscillation carrier wave for detection by a standard MRI console over the entire duration of fMRI sequence. Local field potential (LFP) and fMRI maps are retrieved through low-pass and high-pass filtering of frequency-demodulate signals. From optogenetically-stimulated somatosensory cortex, the positive correlation between evoked LFP and fMRI signals validates strong neurovascular coupling, enabling cross-scale brain mapping with this 2-in-1 transducer as a research and diagnostic tool.

Generation of Top‐Boundary Conditions for 3D Ionospheric Models Constrained by Auroral Imagery and Plasma Flow Data

AbstractData products relating to auroral arc systems are often sparse and distributed while ionospheric simulations generally require spatially continuous maps as boundary conditions at the topside ionosphere. Fortunately, all‐sky auroral imagery can provide information to fill in the gaps. This paper describes three methods for creating electrostatic plasma convection maps from multi‐spectral imagery combined with plasma flow data tracks from heterogeneous sources. These methods are tailored to discrete arc structures with coherent morphologies. The first method, “reconstruction,” builds the electric potential map (from which the flow field is derived) out of numerous arc‐like ridges that are then optimized against the plasma flow data. This method is designed for data from localized swarms of spacecraft distributed in both latitude and longitude. The second method, “replication,” uses a 1D across‐arc flow data track and replicates these data along a determined primary and secondary arc boundary while simultaneously scaling and rotating to keep the flow direction parallel to the arc and the flow shear localized at the arc boundaries. The third, “weighted replication,” performs a replication on two data tracks and calculates a weighted average between them, where the weighting is based on data track proximity. This paper shows the use of these boundary conditions in driving and assessing 3D auroral ionospheric, multi‐fluid simulations.

AHP and geospatial technologies for identifying groundwater exploration target regions in Dindigul, southern India

Recent advances in space technology are being widely utilized in resource mapping and management as they provide a high level of accuracy over a short duration and at a lower cost, when compared to traditional methods. Remote sensing and the geographical information system (GIS) play a vital role in collecting and analyzing information used to map resources and earth surface features. For example, anthropogenic activities and climate change affect the natural interaction between the surface and ground water making the monitoring and management of groundwater resources mandatory for future sustainable development. In this study, we attempt to identify the groundwater potential zones in the Dindigul district of Tamil Nadu, India using these emerging technologies. To map regions with groundwater potential, the analytical hierarchical process (AHP) was used to assign weights to all classes in each thematic layer based on groundwater-influencing factors. The sub-features of every parameter were also ranked, using a pairwise comparison method, based on the groundwater-influencing factors and expert knowledge. The parameters selected for the analysis were geology, geomorphology, soil, land-use/land-cover, drainage density, lineament density, slope, rainfall, thickness of top-soil, thickness of fractured zone, thickness of weathered zone, topographic wetness index, roughness and curvature. The weighted overlay analysis method was adopted for all the thematic layers, with technical support from the AHP for assigning weightages. The results were classified into five categories viz., very high, high, moderate, low, and very low potential zones, and used to prepare a groundwater potential map. This map revealed a nuanced distribution of groundwater potential across the district, with varying degrees of potentiality in different regions. Very high potential zones occupy a minimal area (0.07%) but are strategically located in areas characterized by high weathered zone thickness and conducive soil characteristics. High potential zones cover a significant area (22.33%) and are dispersed throughout the district, with specific concentrations in regions featuring highly fractured zones and favorable geological attributes. Moderate potential zones (35.12%) are primarily located in the northeastern part of the study area, while low and very low potential regions cover 19.56% and 22.92% of the study area. The low and very low potential zones appear particularly in hilly terrains, with unfavorable top soil and geological conditions. The validation of the groundwater potential zone (GWPZ) map using the annual average water level data demonstrates a substantial match (60.53%) between the identified groundwater conditions and actual well depths, affirming the reliability and significance of the findings from this study.

Chemical entity normalization for successful translational development of Alzheimer’s disease and dementia therapeutics

BackgroundIdentifying chemical mentions within the Alzheimer’s and dementia literature can provide a powerful tool to further therapeutic research. Leveraging the Chemical Entities of Biological Interest (ChEBI) ontology, which is rich in hierarchical and other relationship types, for entity normalization can provide an advantage for future downstream applications. We provide a reproducible hybrid approach that combines an ontology-enhanced PubMedBERT model for disambiguation with a dictionary-based method for candidate selection.ResultsThere were 56,553 chemical mentions in the titles of 44,812 unique PubMed article abstracts. Based on our gold standard, our method of disambiguation improved entity normalization by 25.3 percentage points compared to using only the dictionary-based approach with fuzzy-string matching for disambiguation. For the CRAFT corpus, our method outperformed baselines (maximum 78.4%) with a 91.17% accuracy. For our Alzheimer’s and dementia cohort, we were able to add 47.1% more potential mappings between MeSH and ChEBI when compared to BioPortal.ConclusionUse of natural language models like PubMedBERT and resources such as ChEBI and PubChem provide a beneficial way to link entity mentions to ontology terms, while further supporting downstream tasks like filtering ChEBI mentions based on roles and assertions to find beneficial therapies for Alzheimer’s and dementia.