partition coefficient

Ginger is consumed as a spice and medicine globally. However, pesticide residues in ginger and their residue changes during processing remain poorly understood. Our results demonstrate that clothianidin, carbendazim and imidacloprid were the top detected pesticides in 152 ginger samples with detection rates of 17.11-27.63%, and these pesticides had higher average residues of 44.07-97.63 μg/kg. Although most samples contained low levels of pesticides, 66.45% of the samples were detected with pesticides, and 38...

There is consensus about the importance of developing a strong cadre of effective multilevel interventions to eliminate the impacts of unjust social processes, such as structural racism and other harmful social determinants of health (SDOH), on health inequities in the USA. However, the available cadre of rigorously evaluated evidence-based interventions for SDOH mitigation remains underdeveloped relative to the magnitude of historic and current health inequities. The proposed manuscript addresses this gap in two ways: first, by introducing a heuristic framework to inform decisions in multilevel intervention development, study design, and selection of analytic methods and, second, by providing a roadmap for future applications of the framework in multilevel intervention research through an exemplar application using the ongoing NIH-funded evaluation study of the Nurse-Community-Family Partnership (NCFP) intervention...

Computational techniques, such as quantitative structure-property relationships (QSPRs), can play a significant role in exploring the important chemical features essential for the degree of sorption or sludge/water partition coefficient (Kd ) towards sewage sludge of wastewater treatment process to evaluate the environmental consequence and risk of pharmaceuticals. The current research work aims to construct a predictive QSPR model for the sorption of 148 diverse active pharmaceutical ingredients (APIs) in sewage sludge during wastewater treatment...

The high-resolution rovibronic line lists of the MgH+ molecular cation are presented in our work. The potential energy curves are calculated by the method of multireference configuration interaction and Davidson correction (MRCI+Q) with the spin-orbit coupling (SOC) effect. Spectroscopy constants are fitted and the results are in good agreement with experiments, ensuring the accuracy of the electronic structure. On account of potential energy curves and transition dipole moments, the Franck-Condon factors and Einstein coefficients of transition are obtained...

UNLABELLED: The unexpected discovery of felsic magma by the Iceland Deep Drilling Project-1 (IDDP-1) in the Krafla volcanic system (KVS) presents a unique opportunity to investigate pre-eruptive lithium (Li) dynamics and establish a more direct connection between magma reservoirs and volcanic deposits. Our study provides new insights into Li abundances and isotope compositions in bulk-rock, minerals, and groundmass glass from rhyolitic lavas at KVS, encompassing various stages of groundmass crystallisation...

Chlorambucil is an alkylating drug that finds application towards chemotherapy of different types of cancers. In order to explore the possibility of utilization of this drug as an imaging agent for early diagnosis of solid tumors, attempt was made to synthesize a 99m Tc complex of chlorambucil and evaluate its potential in tumor bearing small animal model. HYNIC-chlorambucil (HYNIC is hydrazine nicotinamide) was synthesized by conjugation of HYNIC with chlorambucil via an ethylenediamine linker. All the intermediates and final product were purified and characterized by standard spectroscopic techniques viz...

The presence of Ag(I) and Pb(II) ions in wastewater poses a significant threat to human health in contemporary times. This study aims to explore the development of a novel and economical adsorbent by grafting MnO2 particles onto low-rank coal, providing an innovative solution for the remediation of water contaminated with silver and lead. The synthesized nanocomposites, referred to as MnO2 -coal, underwent thorough characterization using FTIR, XRD, BET, SEM, and TEM to highlight the feasibility of in-situ surface modification of coal with MnO2 nanoparticles...

Emodin is a natural anthraquinone derivative found in nature, widely known as an herbal medicine. Here, the partition, location, and interaction of emodin with lipid membranes of 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) are experimentally investigated with different techniques. Our studies have considered the neutral form of emodin (EMH) and its anionic/deprotonated form (EM- ), and their interaction with a more and less packed lipid membrane, DMPC at the gel and fluid phases, respectively. Though DSC results indicate that the two species, EMH and EM- , similarly disrupt the packing of DMPC bilayers, spin labels clearly show that EMH causes a stronger bilayer disruption, both in gel and fluid DMPC...

Benzo[ a ]pyrene is difficult to remove from soil due to its high octanol/water partition coefficient. The use of mixed surfactants can increase solubility but with the risk of secondary soil contamination, and the compounding mechanism is still unclear. This study introduced a new approach using environmentally friendly fatty acid methyl ester sulfonate (MES) and alkyl polyglucoside (APG) to solubilize benzo[ a ]pyrene. The best result was obtained when the ratio of MES/APG was 7:1 under 6 g/L total concentration, with an apparent solubility ( S w ) of 8...

PURPOSE: The purpose of this study was to evaluate the capabilities of multiparametric magnetic resonance imaging (MRI) in differentiating between lipid-poor adrenal adenoma (LPAA) and adrenocortical carcinoma (ACC). MATERIALS AND METHODS: Patients of two centers who underwent surgical resection of LPAA or ACC after multiparametric MRI were retrospectively included. A training cohort was used to build a diagnostic algorithm obtained through recursive partitioning based on multiparametric MRI variables, including apparent diffusion coefficient and chemical shift signal ratio (i...

Patients with sickle cell disease (SCD) display lower slope coefficients of the oxygen uptake (V_O2) vs. work rate (W) relationship (delineating an O2 uptake/demand mismatch) and a poor metabolic flexibility. Because endurance training (ET) increases the microvascular network and oxidative enzymes activity including one involved in lipid oxidation, ET might improve the slope coefficient of the V_O2 vs. W curve and the metabolic flexibility of SCD patients. ET may also contribute to improve patient post-exercise cardiopulmonary and metabolic recovery...

Restoring freshwater flows to wetland ecosystems is an increasingly common tool for reversing saltwater intrusion/chronic salinization. Hydrologic restoration projects can deliver large volumes of sediment and fresh water to coastal basins, episodically exposing brackish and salt marsh vegetated soils to low surface water salinities. Yet little is known about the impacts of river reconnection/diversions to porewater salinity of the active root zone (0-30 cm) and salinity dependent soil biogeochemical processes like sorption...

Simulation of the physicochemical and biochemical behavior of nanomaterials has its own specifics. However, the main goal of modeling for both traditional substances and nanomaterials is the same. This is an ecologic risk assessment. The universal indicator of toxicity is the n-octanol/water partition coefficient. Mutagenicity indicates the possibility of future undesirable environmental effects, possibly greater than toxicity. Models have been proposed for the octanol/water distribution coefficient of gold nanoparticles and the mutagenicity of silver nanoparticles...

Inhalable chemicals found in children's play mats can be slowly released into indoor environments and consequently threaten human health. In this study, the partition coefficients of seven inhalable chemicals between play mats and air were calculated by headspace gas chromatography-mass spectrometry based on the law of conservation of mass and the principle of equilibrium of headspace bottles. Furthermore, an emission source model for the residual ratio of the inhalable chemicals in play mats was established...

Individual muscle segmentation is the process of partitioning medical images into regions representing each muscle. It can be used to isolate spatially structured quantitative muscle characteristics, such as volume, geometry, and the level of fat infiltration. These features are pivotal to measuring the state of muscle functional health and in tracking the response of the body to musculoskeletal and neuromusculoskeletal disorders. The gold standard approach to perform muscle segmentation requires manual processing of large numbers of images and is associated with significant operator repeatability issues and high time requirements...

PURPOSE: Anomia, or word-finding difficulty, is a prevalent and persistent feature of aphasia, a neurogenic language disorder affecting millions of people in the United States. Anomia assessments are essential for measuring performance and monitoring outcomes in clinical settings. This study aims to evaluate the reliability of response time (RT) annotation based on spectrograms and assess the predictive utility of proxy RTs collected during computerized naming tests. METHOD: Archival data from 10 people with aphasia were used...

The octanol/water partition coefficient P (logP) is a hydrophobicity index and is one of the determining factors for the pharmacokinetics of orally administered substances because it influences membrane permeability. To illustrate the wide-ranging variety of compounds in the chemical space, a two-dimensional data plot consisting of 25 blocks was previously proposed based on a substance's in silico chemical descriptors. The logP values of approximately 200 diverse chemicals (test plus reference compounds covering all 25 blocks of the chemical space) were estimated experimentally using retention times in reverse-phase liquid chromatography; these values were compared with those of authentic reference compounds with established logP values (available for 17 of 60 reference substances in the Organization for Economic Co-operation and Development Test Guideline 117)...

This study was investigated the effect of adding fat to pork sausage on taste and aroma persistence. Sensory evaluation indicated that increasing fat content intensified umami and saltiness perception, enhancing the mouthfulness and flavor persistence, leading to Koku enhancing effect. Gas chromatography/mass spectrometry (GC/MS) analysis identified aroma compounds such as β-pinene, 3-carene, D-limonene, octanal, nonanal, caryophyllene, and methyl eugenol, which were consistently present regardless of fat content...

The feasibility of bioprocess development relies heavily on the successful application of primary recovery and purification techniques. Aqueous two-phase extraction (ATPE) disrupts the definition of "unit operation" by serving as an integrative and intensive technique that combines different objectives such as the removal of biomass and integrated recovery and purification of the product of interest. The relative simplicity of processing large samples renders this technique an attractive alternative for industrial bioprocessing applications...

GRP78, a member of the HSP70 superfamily, is an endoplasmic reticulum chaperone protein overexpressed in various cancers, making it a promising target for cancer imaging and therapy. Positron emission tomography (PET) imaging offers unique advantages in real time, noninvasive tumor imaging, rendering it a suitable tool for targeting GRP78 in tumor imaging to guide targeted therapy. Several studies have reported successful tumor imaging using PET probes targeting GRP78. However, existing PET probes face challenges such as low tumor uptake, inadequate in vivo distribution, and high abdominal background signal...