Absorption Parameters Research Articles

An update of skin permeability data based on a systematic review of recent research

The cutaneous absorption parameters of xenobiotics are crucial for the development of drugs and cosmetics, as well as for assessing environmental and occupational chemical risks. Despite the great variability in the design of experimental conditions due to uncertain international guidelines, datasets like HuskinDB have been created to report skin absorption endpoints. This review updates available skin permeability data by rigorously compiling research published between 2012 and 2021. Inclusion and exclusion criteria have been selected to build the most harmonized and reusable dataset possible. The Generative Topographic Mapping method was applied to the present dataset and compared to HuskinDB to monitor the progress in skin permeability research and locate chemotypes of particular concern. The open-source dataset (SkinPiX) includes steady-state flux, maximum flux, lag time and permeability coefficient results for the substances tested, as well as relevant information on experimental parameters that can impact the data. It can be used to extract subsets of data for comparisons and to build predictive models.

Analytical Investigation of Arrhenius Kinetics with Heat Source/Sink Impacts along a Heated Superhydrophobic Microchannel

Exothermic Arrhenius-controlled chemical reactions are widely employed for heating applications, such as combustion in heating systems and fuel-burning motors. These effects are critical for manufacturing high thermal systems required for high thermal performances. Therefore, this paper presents the analytical investigation into the Arrhenius-controlled heat-generating/absorbing fluid of a hydromagnetic flow along a heated upstanding plate in a microchannel. One wall had a superhydrophobic surface and temperature jump conditions, but the other was unaltered. The regular perturbation approach investigated the nonlinear, coupled governing equations. With the help of graphical plots, the impacts of crucial and relevant parameters embedded in the flow are described. This investigation concludes that chemically reacting parameters' impact significantly elevates the micro-channel's thermal and hydromagnetic flow. However, applying the heat generation parameter increases fluid velocity, whereas the heat absorption parameter produces the contrary effect. The outcomes of this study can be relevant to the field of biomedical sciences and devices for improving heat transfer efficiency, chemical synthesis, enhancing the performances of micro-electro-mechanical systems (MEMS) and mini-devices, heating and energy generation, designing efficient energy conversion processes, and so on.

Water-vapor absorption database using dual comb spectroscopy from 300 to 1300 K part I: Pure H2O, 6600 to 7650 cm-1

We present broadband dual frequency comb laser measurements of pure H2O absorption (natural isotopic abundance of 99.7 % H216O) from 6600 to 7650 cm−1 (1307–1515 nm) with a spectral point spacing of 0.0068 cm−1. Twenty-nine absorption spectra were collected at temperatures between 300 and 1300 K (±0.81 % average uncertainty) and pressures ranging from 0.5 to 16 Torr (±0.27 %) with an average residual absorbance noise of 7.4E-4 across the spectrum for all measurements. We fit measurements using a quadratic speed-dependent Voigt profile to determine 17,030 absorption parameters for 5986 transitions found in HITRAN2020. The measured parameters include line strength, line center, self-broadening, and self-shift, along with their power-law temperature-dependence exponents, and speed-dependent self-width parameters. A second version of the retrieved parameters with fits that do not include speed-dependence is also presented. We explore various trends to enable parameter extrapolation for weak transitions that were not covered in this work. We measured line parameters for an additional 614 features not presently catalogued in the HITRAN2020 database. In aggregate, these updates improved RMS absorbance error by a factor of 2.6 on average, and the remaining residual is predominantly spectral noise. This updated database improves high-temperature spectroscopic knowledge across the 6600–7650 cm−1 region of H2O absorption. An accompanying paper (Part II) describes similar measurements and a new database for air-broadened H2O absorption.

Tailoring optical and photocatalytic properties of sulfur-doped boron nitride quantum dots via ligand functionalization

Boron nitride quantum dots (BNQDs) have emerged as promising photocatalysts due to their excellent physicochemical properties. This study investigates strategies to enhance the photocatalytic performance of BNQDs through sulfur-doping (S-BNQDs) and edge-functionalization with ligands (urea, thiourea, p-phenyl-enediamine (PPD)). To analyze the geometry, electronic structure, optical absorption, charge transfer, and photocatalytic parameters of pristine and functionalized S-BNQDs, we performed density functional theory calculations. The results showed that S-doping and ligand functionalization tune the bandgap, band energies, and introduce mid-gap states to facilitate light absorption, charge separation, and optimized energetics for photocatalytic redox reactions. Notably, the PPD ligand induced the most substantial bandgap narrowing and absorption edge red-shift by over 1 electron volt (eV) compared to pristine S-BNQD, significantly expanding light harvesting. Additionally, urea and PPD functionalization increased the charge transfer length by up to 2.5 times, effectively reducing recombination. On the other hand, thiourea functionalization yielded the most favorable electron injection energetics. The energy conversion efficiency followed the order: PPD (15.0%) > thiourea (12.0%) > urea (11.0%) > pristine (10.0%). Moreover, urea functionalization maximized the first-order hyperpolarizability, enhancing light absorption. These findings provide valuable insights into tailoring S-BNQDs through strategic doping and functionalization to develop highly efficient, customized photocatalysts for sustainable applications.

Utilization bottom ash from incinerator become paving block

Bottom ash incinerator produced by PT. X from various waste from production tenant activities has physical characteristics like cement, so it possible to use it as a substitute for cement in paving block mixtures. This utilization aims to determine the effect of using bottom ash on paving blocks according to the compressive strength and water absorption parameter. The composition of cement, and bottom ash in making paving block was varied in this experiment, for amount of sand and water used were same. Drying process for the paving block took 28 days. The bottom ash replace cement by 0 percent, 5 percent, 10 percent and 15 percent respectively, and two replications done for measurement. The quality of paving block was test based on the SNI 03-0619-1996 to determine the level of quality of paving block. The results of this study indicate that the treatment used were significance different based on compressive strength but were not significance different based on water absorption parameter. The substitution of bottom ash in paving blocks based on compressive strength, for treatment C (with 10 percent bottom ash) complied with quality B and treatment D (with 15 percent bottom ash) complied with quality D of paving block standard. Based on water absorption parameter all treatment complied with quality B and D (treatment A, B, and D complied with quality D and treatment C complied with B quality). By considering booth parameter, treatment C (with 10 percent bottom ash) complied with B quality and treatment D (with 15 percent bottom ash) complied with D quality. Other finding from these research showed at least 10 percent bottom ash from incinerator replaced cement used in making paving block.

Effect of the Vacuum Impregnation Process on Water Absorption and Nail-Holding Power of Silica Sol-Modified Chinese Fir

The application of fast-growing Chinese fir (Cunninghamia lanceolata) is limited due to low dimensional stability and weak mechanical strength. Silica sol can effectively improve fast-growing fir wood’s physical and mechanical properties. In order to clarify the influence of impregnation process parameters on the modification effect, the effect of the vacuum impregnation variants (e.g., pre-vacuum time, pre-vacuum pressure, pressurization time, and pressurization pressure) was discussed using the orthogonal test approach. The optimal modification process was determined by comparing the water absorption and nail-holding power under different modification processes. The range analysis and variance analysis methods were used to study the correlation between process factors and the performance of the modified wood. The results showed that the water absorption and nail-holding power of fast-growing fir wood were significantly improved via vacuum impregnating with silica sol. The optimum process parameters for water absorption and nail-holding power of fast-growing fir as the pre-vacuum time was 30 min, the pre-vacuum pressure was −0.08 MPa, the pressurization time was 3 h, and the pressurization pressure was 1.2 MPa.

Characteristics of MHD Jeffery Fluid Past an Inclined Vertical Porous Plate

This paper is concerned with the study of an unsteady, MHD natural convective boundary layer flow of a viscous, incompressible and electrically conducting, non-Newtonian Jeffery fluid over a semi-infinite vertically inclined permeable moving plate embedded in a porous medium in the presence of thermal radiation, heat absorption and thermal diffusion, heat and mass transfer. . The permeability of the porous medium and the suction velocity are considered to be an exponentially decreasing function of time. The fundamental governing equations for this investigation are solved numerically using the perturbation technique. The results are presented graphically and in tabular form for various controlling parameters. The behavior of different physical parameters is shown graphically. The numerical values of Skin friction, Nusselt number, and Sherwood number are presented in a tabular form. Obtained outcomes are compared with earlier studies in the special case and strong agreement is noted. From graphical representation, it is concluded that velocity and temperature distribution increases with the mixed convection parameter and buoyancy force parameter. An increasing value of magnetic field parameter, slip parameter, and Jeffery parameter tends to reduced velocity and also raising the values of Prandtl number, radiation parameter and heat absorption parameter tends to downfallen temperature profiles. This study may be useful in several industrial applications, for example, polymer production, manufacturing of ceramics or glassware and food processing, and so forth.

Effect of Welding Process on Energy Absorption Parameters of a Square Tube with Emphasis on the Number and Position of Welding Lines

Effect of Welding Process on Energy Absorption Parameters of a Square Tube with Emphasis on the Number and Position of Welding Lines

Quantum advantage of time-reversed ancilla-based metrology of absorption parameters

Quantum estimation of parameters defining open-system dynamics may be enhanced by using ancillas that are entangled with the probe but are not submitted to the dynamics. Here we consider the important problem of estimation of transmission of light by a sample, with losses due to absorption and scattering. We show, through the determination of the quantum Fisher information, that the ancilla strategy leads to the best possible precision in single-mode estimation—the one obtained for a Fock-state input—through joint photon counting of probe and ancilla, which are modes of a bimodal squeezed state produced by an optical parametric amplifier. This proposal overcomes the challenge of producing and detecting high-photon-number Fock states, and it is quite robust in the presence of additional noise: We show that it is immune to phase noise and the precision does not change if the incoming state gets disentangled. Furthermore, the quantum gain is still present under moderate photon losses of the input beams. We also discuss an alternative to joint photon counting, which is readily implementable with present technology and approaches the quantum Fisher information result for weak absorption, even with moderate photon losses of the input beams before the sample is probed: a time-reversal procedure, placing the sample between two optical parametric amplifiers, with the second undoing the squeezing produced by the first one. The precision of estimation of the loss parameter is obtained from the average outgoing total photon number and its variance. In both procedures, the state of the probe and the detection procedure are independent of the value of the parameter. Published by the American Physical Society 2024

Heat and Mass Transfer on Unsteady MHD Chemically Reacting Rotating Flow of Jeffrey Fluid Past an Inclined Plates under the Impact of Hall Current, Diffusion Thermo and Radiation Absorption

An analytical solution for two dimensional unsteady MHD free convective double diffusive heat and mass transfer rotating flow of viscous incompressible optically thin non Newtonian fluid (jeffrey fluid) past a semi-infinite porous plate in the presence of generation of heat absorption with hall current, radiation absorption and Dufour effects are presented in this paper. Lorentz force is applied perpendicular direction to the plate with a first-order chemical reaction. The governing PDEs transformed into ODEs by applying the perturbation technique. The effects of various physical parameters like Hall current, heat absorption, radiation parameter, radiation absorption parameter, Grashof number, modified Grashof number, Dufour effect, magnetic field parameter, inclined angle, chemical reaction parameter, etc., are studied with graphically. Temperature profile is increased by raising the values of Dufour effect, radiation absorption parameter and reverse effect of the heat absorption parameter and also concentration profile distribution is downfall by raising the values of Schmited number, chemical reaction parameter. Another significant finding of the current study is that the numerical data are displayed with the use of Matlab programmes to investigate the outcomes of the skin friction solution. the rate of heat and mass transfer at the wall rising under the influence of Dufour effect. Tables, graphs, and reports can be used to display the impact of all pertinent parameters.

Discovering genotype-phenotype relationships with machine learning and the Visual Physiology Opsin Database (VPOD).

Predicting phenotypes from genetic variation is foundational for fields as diverse as bioengineering and global change biology, highlighting the importance of efficient methods to predict gene functions. Linking genetic changes to phenotypic changes has been a goal of decades of experimental work, especially for some model gene families, including light-sensitive opsin proteins. Opsins can be expressed in vitro to measure light absorption parameters, including λmax-the wavelength of maximum absorbance-which strongly affects organismal phenotypes like color vision. Despite extensive research on opsins, the data remain dispersed, uncompiled, and often challenging to access, thereby precluding systematic and comprehensive analyses of the intricate relationships between genotype and phenotype. Here, we report a newly compiled database of all heterologously expressed opsin genes with λmax phenotypes that we call the Visual Physiology Opsin Database (VPOD). VPOD_1.0 contains 864 unique opsin genotypes and corresponding λmax phenotypes collected across all animals from 73 separate publications. We use VPOD data and deepBreaks to show regression-based machine learning (ML) models often reliably predict λmax, account for nonadditive effects of mutations on function, and identify functionally critical amino acid sites. The ability to reliably predict functions from gene sequences alone using ML will allow robust exploration of molecular-evolutionary patterns governing phenotype, will inform functional and evolutionary connections to an organism's ecological niche, and may be used more broadly for de novo protein design. Together, our database, phenotype predictions, and model comparisons lay the groundwork for future research applicable to families of genes with quantifiable and comparable phenotypes.

Intestinal absorption components and absorption characteristics of Wuwei Qingzhuo San by everted intestinal sac models

This study investigated the absorption profile of Wuwei Qingzhuo San in different intestinal segments and the absorption characteristics of its alkaloids(piperine, piperanine, piperlonguminine, and dihydropiperlonguminine). The everted gut sac model was established, and the chemical components of Wuwei Qingzhuo San in different intestinal segments were detected by UPLC-Q-TOF-MS. The content of piperine, piperanine, piperlonguminine, and dihydropiperlonguminine in intestinal absorption fluid was determined by UPLC-Q-TRAP-MS and the absorption parameters were calculated. The absorption characteristics in different intestinal segments at different time were analyzed. As a result, 27, 27, 8, and 6 absorbent components from Wuwei Qingzhuo San were detected in the intestinal cyst fluid of jejunum, ileum, duodenum, and colon by UPLC-Q-TOF-MS technology, respectively. It was also found that piperine, piperanine, piperlonguminine, and dihydropiperlonguminine from Wuwei Qingzhuo San showed linear absorption in various intestinal segments, with r values exceeding 0.9. In terms of absorption content, the components were ranked as piperine>piperanine>dihydropiperlonguminine>piperlonguminine in various intestinal segments, but the absorption rate and mechanism of each component varied. The results demonstrate that the absorption of the components of Wuwei Qingzhuo San in different intestinal segments is selective and is not a simple semi-permeable membrane permeation process.

The chemical composition and the preservative, antimicrobial, and antioxidant effects of Thymus broussonetii Boiss. essential oil: an in vitro and in silico approach.

The aim of this study was to evaluate the antioxidant, antimicrobial, and preservative efficacy of Thymus broussonetii Boiss. essential oil (EO) in a topically applied formulation using a challenge test. The essential oil was extracted from the aerial part of T. broussonetii using hydrodistillation, and the obtained EO was further analyzed by gas chromatography/mass spectrometry (GC/MS). The antioxidant effect of the EO was evaluated using three methods: the inhibition of free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH), β-carotene-linoleic acid, and the ferric reducing antioxidant power (FRAP) methods. The antimicrobial activity and the minimum inhibitory concentration (MIC) of this EO were assayed by the disk-diffusion method and the broth microdilution method, respectively. The preservative efficacy of T. broussonetii EO was assayed at 1% and 2% (v/w) in a topical cream formulation using a challenge test against standard-specific microorganisms recommended by the European Pharmacopoeia. Furthermore, the identified phytochemical compounds were docked for their effect on nicotinamide adenine dinucleotide phosphate oxidase, human casein kinase 1 alpha 1 (CSNK1A1), glycogen synthase kinase 3, Staphylococcus aureus nucleoside diphosphate kinase, Escherichia coli beta-ketoacyl-[acyl-carrier protein] synthase, Pseudomonas aeruginosa LasR ligand-binding domain, and sterol 14-alpha demethylase (CYP51) from Candida albicans. The ADME/toxicity was predicted by analyzing the absorption, distribution, metabolism, and excretion parameters. chemical composition of the EO revealed the presence of thymol (63.09%), p-cymene (11%), and γ-terpinene (8.99%) as the major components. The antioxidant assays revealed that the essential oil exhibited strong antioxidant activity, as indicated by the minimum inhibitory concentration IC50 (IC50 = 210 ± 0.3μg/mL for the DPPH assay, IC50 = 145 ± 0.1μg/mL for the β-carotene assay, and IC50 = 84 ± 0.21μg/mL for the FRAP assay) when compared to quercetin and butylated hydroxytoluene (BHT) as controls. The investigated essential oil exhibited important antimicrobial activity against all the tested microorganisms, and the MICs of the EO against bacteria and fungi were 0.02%-1%. Moreover, the EO of T. broussonetii evaluated at 2% (v/w) in a cream formulation succeeded in satisfying the A criteria for preservation efficacy against S. aureus, E. coli, and Aspergillus brasiliensis but exhibited less efficacy against P. aeruginosa (1.78 log reduction in the number of CFU/g after 7days of evaluation) and C. albicans (1.09 log reduction in the number of CFU/g after 14days of evaluation) when compared to the synthetic preservative phenoxyethanol 1% (v/w). In silico results showed that the antimicrobial activity of T. broussonetii EO is mostly attributed to thymol, terpinen-4-ol, and aromadendrene, while the antioxidant activity is attributed to thymol. These results indicate that the EO of T. broussonetii possesses important antimicrobial and antioxidant properties and can, therefore, be used as a natural preservative ingredient in the cosmetic industry.

A proposed framework to establish in vitro-in vivo relationships using gastric digestion models for food research.

In vitro digestion methods have been utilized in food research to reduce in vivo studies. Although previous studies have related in vitro and in vivo data, there is no consensus on how to establish an in vitro-in vivo relationship (IVIVR) for food digestion. A framework that serves as a tool to evaluate the utility and limitations of in vitro approaches in simulating in vivo processes is proposed to develop IVIVRs for food digestion, with a focus on the gastric phase as the main location of food structural breakdown during digestion. The IVIVR consists of three quantitative levels (A, B, and C) and a qualitative level (D), which relate gastric digestion kinetic data on a point-to-point basis, parameters derived from gastric digestion kinetic data, in vitro gastric digestion parameters with in vivo absorption or appearance parameters, and in vitro and in vivo trends, respectively. Level A, B, and C IVIVRs can be used to statistically determine the agreement between in vitro and in vivo data. Level A and B IVIVRs can be utilized further evaluate the accuracy of the in vitro approach to mimic in vivo processes. To exemplify the utilization of this framework, case studies are provided using previously published static and dynamic gastric in vitro digestion data and in vivo animal study data. Future food digestion studies designed to establish IVIVRs should be conducted to refine and improve the current framework, and to improve in vitro digestion approaches to better mimic in vivo phenomena.

Математическое моделирование взаимодействия водорода с многокомпонентными ИМС на основе гексагональных фаз Лавес

To calculate the properties of previously unstudied intermetallic compounds (IMC), a statistical model developed in our laboratory was applied, which uses already known literature data on the thermodynamic parameters of absorption / desorption reactions of hydrogen for intermetallic compositions with the structure of hexagonal Laves phases. For the alloys, hydrogen absorption and desorption isotherms were plotted. Comparison of calculated and experimental data was carried out to assess the correctness of the forecast model.

Optimization of Traveling-Wave Capability Absorption Parameters Based on Response Surface Analysis

Optimization of Traveling-Wave Capability Absorption Parameters Based on Response Surface Analysis

Two-section passively Mode-locked laser as a test for amplification and absorption parameters of a quantum well based InP optical amplifier at 1300 nm

Two-section passively Mode-locked laser as a test for amplification and absorption parameters of a quantum well based InP optical amplifier at 1300 nm

Atomoxetine: toxicological aspects of a new treatment for Attention Deficit Hyperactivity Disorder in Brazil.

Atomoxetine is a drug widely used for the treatment of the attention deficit hyperactivity disorder (ADHD) with reduced risk of adverse motor reactions and chemical dependence. However, the pharmacokinetics characteristics as well as the toxicological risk of atomoxetine deserves further investigation to comprehensively analyze the therapeutic and safety aspects of this drug. This study aimed to predict the physicochemical profile and medicinal chemistry characteristics of atomoxetine, alongside its pharmacokinetic properties-namely absorption, distribution, metabolism, and excretion-as well as its toxicology (ADMET) potential through the utilization of web-based in silico tools. This research emphasizes predicted physicochemical, medicinal chemistry, and absorption parameters of atomoxetine that could influence the efficacy and safety of this drug for ADHD treatment. Additionally, atomoxetine also presents noteworthy predicted risks of hepatotoxicity, cardiotoxicity, neurotoxicity, nephrotoxicity, respiratory system toxicity, skin toxicity, and carcinogenicity. These findings underscore the necessity for further assessments of atomoxetine's safety profile, particularly considering different patient populations and durations of drug treatment. The data reported here from in silico predictions suggest that closer monitoring is warranted when atomoxetine is administered to patients with ADHD. Moreover, controlled studies detailing reliable protocols for personalized dosing, considering the multifactorial variability in metabolism efficiency and toxicological potential, would enable a more comprehensive assessment of atomoxetine's safety profile.

THERMAL DIFFUSION AND RADIATION ABSORPTION IMPACTS ON CHEMICALLY REACTIVE AND RADIATIVE NANOFLUID FLOW PAST AN EXPONENTIALLY ACCELERATED VERTICAL POROUS PLATE

The role of thermal diffusion (Soret) and radiation-absorption influences on the unsteady MHD boundary layer flow for Silver (Ag) and Copper (Cu) water-based nanofluid over an accelerated exponentially vertical porous plate has been investigated. The varying temperature and concentration at the plate are also considered. The governing equations of the flow are numerically resolved to employ the finite-difference system of the implicit Crank-Nicolson method. Fluid velocity, f luid temperature, and species concentration were all plotted for meaningful physical parameters. For both nanofluids, non-dimensional metrics such as the friction factor, Nusselt number, and Sherwood number at the surface are tabulated. The data obtained from the literature provide strong validation for the findings. The f inding of the study is that both nanofluids’ velocities rise with increases in Soret and radiation absorption parameters. For increased values of Soret and radiation absorption parameters, the friction factor and Nusselt number increase. Sherwood numbers drop for the Soret parameter and rise for the radiation absorption.

Structural Investigation and Optical Properties of Dysprosium (Dy3+) Ions Doped Oxyfluoro Antimony Borate Glasses for Photonics Applications.

Dysprosium oxide-doped glasses with a composition of 60B2O3-10Sb2O3-10Al2O3-10NaF-(10-x) LiF-xDy2O3 (x = 0.1,0.5, 1.0,1.5,2.0,2.5 mol%) were prepared using a conventional melt-quenching technique. The glasses were characterized through various analytical investigations, including X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, refractive index, density, optical absorption, excitation, photoluminescence (PL) studies, decay measurements and radiation shielding parameters. The XRD and FT-IR confirms the glassy nature and functional groups present in the titled glass. The absorption spectra were used to determine the oscillator strength of the Dy3+ absorption transitions as well as the bond created with the O-2 ion in the titled glass network. The degree of the suitability of developed glasses for lasing applications was demonstrated by radiative parameters determined using Judd-Ofelt theory. In the prepared glass samples, the optical bandgap measurements indicate the presence of non-bridging oxygen (NBOs), localization of charges and donor centers in the titled glasses. Due to the de-excitation of 4F9/2 to the corresponding 6H15/2,6H13/2 and 6H11/2 states, the PL emission spectrum shows two main strong emissions at blue(480nm), yellow (575nm) and one less emission at red (663nm). The CIE coordinates determined using PL emission spectra reveal the coordinates that are falling within the white light region. Various shielding parameters such as mass attenuation coefficient, mean free path, effective atomic number were estimated to understand the radiative shielding nature of the titled glasses. Within the addition of Dy2O3, it was found that the shielding parameters values of the titled glass samples are increasing. The Mass Attenuation Coefficient, Half Value Layer and Mean Free Path of the as prepared glasses has been compared with different types of concretes to understand the shielding effectiveness of prepared glass.