The nature of the silicaphilic fluorescence of PDMPO

PDMPO (2-(4-pyridyl)-5-((4-(2-dimethylaminoethylaminocarbamoyl)methoxy)phenyl)oxazole), has unique silica specific fluorescence and is used in biology to understand biosilicification. This ‘silicaphilic’ fluorescence is not well understood nor is the response to local environmental variables like solvent and pH. We investigated PDMPO in a range of environments: using UV-vis and fluorescence spectroscopy supported by computational data, (SPARC, molecular dynamics simulations, density functional theory calculations), dynamic light scattering and zeta potential measurements to understand the PDMPO–silica interaction. From absorption data, PDMPO exhibited a pKa of 4.20 for PDMPOH22+ to PDMPOH+ . Fluorescence emission measurements revealed large shifts in excited state pKa* values with different behaviour when bound to silica (pKa* of 10.4). PDMPO bound to silica particles is located in the Stern layer with the dye exhibiting pH dependent depolarising motion. In aqueous solution, PDMPO showed strong chromaticity with correlation between the maximum emission wavelength for PDMPOH+* and dielectric constant (4.8–80). Additional chromatic effects were attributed to changes in solvent accessible surface area. Chromatic effects were also observed for silica bound dye which allow its use as a direct probe of bulk pH over a range far in excess of what is possible for the dye alone (3–5.2). The unique combination of chromaticity and excited state dynamics allows PDMPO to monitor pH from 3 to 13 while also reporting on surface environment opening a new frontier in the quantitative understanding of (bio)silicification

Laser Beam Deflection System For Measuring Stress Variations In Thin Film Electrodes

The bending beam method for measurements of stress in thin films deposited on an elastic substrate in the form of a thin stripe has been improved by the introduction of a laser beam deflection system and of a laser spot position detector. With this improvement, stress measurements have been performed in situ during the electrochemical reactions of palladium hydride formation and of valve metal anodic oxidation. Stress changes in the thin films of 107 N/m2 can be measured with a time response better than 1s. This allows the detection of rapid reactions (like H diffusion in a Pd thin film) and of the electrostriction effect even in anodic films with thickness below 20 nm.13741150115

ANALYSIS OF A COMMERCIAL PORTABLE LITHIUM-ION BATTERY UNDER LOW CURRENT CHARGE-DISCHARGE CYCLES

The dependence between the transferred charge and the corresponding transference time to charge and discharge a portable cell phone Li-ion battery (LiCoO2/C) under cycles of low intensity currents was studied in detail. The voltage curve profile between 3.0 and 4.2 V and the charging and discharging time are strongly influenced by the applied current intensity. A linear dependence between the stored and extracted charges, into and from the battery, with the intensity of applied current was also observed. Allometric equations were found to describe the correlation between the charge transference time and the applied current intensity to charge and discharge the battery

Optomechanical studies of lithium intercalation in amorphous molybdenum thin films

In this work, we studied radio-frequency reactively sputtered molybdenum oxide thin films. Thin films with distinct stoichiometries were obtained by varying the oxygen now and maintaining all other deposition parameters constant. The relationship between optical, electrochemical, and mechanical behavior of the films submitted to lithium intercalation in an aprotic electrolyte is reported. Films deposited at low oxygen flow (B-films) are substoichiometric molybdenum oxide, with composition MoO3-x (0 < x < 1). Films deposited at high oxygen flow (T-films) approach the MoO3 stoichiometry. B-films have a greater concentration of optically active sites and a more open structure when compared to T-films.14392822282

AN ELECTRONEGATIVITY MODEL FOR VIBRATIONAL INTENSITIES OF SUBSTITUTED METHANES

8941887189

Environmental stress evaluation of Coffea arabica L. leaves from spectrophotometric fingerprints by PCA and OSC-PLS-DA

The effects of hydric stress and sunlight access conditions on metabolic compounds in coffee leaves were investigated utilizing statistical mixture design extractor solvents. PCA and OSC-PLS-DA chemometric methods were used to analyze UV-visible spectra of irrigated and non-irrigated Coffea arabica L. leaves from low (80 cm, light exposed) strata. The first latent variable of the OSC-PLS-DA score plot perfectly discriminated extracts of 34 calibration and 14 validation samples of irrigated and non-irrigated leaves. Higher spectral signals observed at the 410, 505, 535, 607 and 665 nm wavelengths are attributed to conjugate double bond pigments, mainly pheophytin a, indicating that non-irrigated conditions are more stressful than irrigated ones for this species. No significant difference was found for leaf sample extracts with varying light access conditions12842514257CAPES - Coordenação de Aperfeiçoamento de Pessoal e Nível SuperiorCNPQ - Conselho Nacional de Desenvolvimento Científico e Tecnológicosem informaçãosem informaçãoThe authors acknowledge the financial support of CNPq, CAPES, INCT – Energia e Ambiente and Fundação Araucária as well as for the scholarships granted. The Agronomic Institute of Paraná (IAPAR) is thanked for supplying the coffee leaf samples used in this wor

Time Evolution Of The Residual Stress Of Plasma-polymerized Acetylene Films In Various Ambients

The behavior of the residual stress with time of plasma-polymerized acetylene films in various ambients has been investigated. The plasma polymers were deposited on thin glass substrates in dc and rf discharges of acetylene. After deposition, the specimens were mounted in a chamber that could be evacuated or filled with air, oxygen, or nitrogen. Stress measurements were carried out by the bending beam method, using a He-Ne laser. A steady rise in the stress during time periods of several hours following film deposition was observed in most of the samples studied. Stress increments of more than one order of magnitude were detected in some of the films upon exposure to air. Pronounced stress increments were also observed during exposure to oxygen. Rises in the stress were detected even in a vacuum ambience. Nitrogen exposure was found to have little effect on the stress. The effect of the moisture content of air on the stress was also examined. The evolution of the stress was found to depend also on the film preparation conditions. The results strongly suggest that postplasma reactions involving active chemical species trapped in the film during deposition play an important role in the development of the stress.7094883488

Chemometric analysis of UV characteristic profile and infrared fingerprint variations of coffea arabica green beans under different space management treatments

Ultraviolet characteristic profiles and infrared spectroscopic (FTIR) fingerprints of green bean extracts of Coffea arabica L., cv. IAPAR 59, cultivated in two planting patterns, rectangular and square, and at two different densities, 10,000 and 6,000 plants ha-1, identified as R10, R6, S10, and S6 were analyzed with principal component and hierarchical cluster analyses. A simplex centroid design for four solvents (ethanol, acetone, dichloromethane, hexane) was used for sample extraction. The largest chlorogenic acid (CGA) contents were found at the lower planting density. The dichloromethane extracts of the S10 treatment showed the highest levels of unsaponifiable lipids (cafestol and kahweol). The R6 treatment showed a slightly higher content of cafestol and kahweol. Cluster analysis of FTIR fingerprints confirmed that the CGA and caffeine levels differentiate the spatial arrangements. The FTIR fingerprints suggest that green beans from S6 and R10 were richer in lipids and the other two treatments had more sugars and proteins27712541263CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQFUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESPSem informaçãoSem informaçã

Direct Recycling of Li_xNi_0.5Mn_0.3Co_0.2O₂ from Production Scrap and End‐Of‐Life Batteries, Using Solid‐State Relithiation

Direct recycling of Li‐ion battery cathodes offers a sustainable and potentially cost‐effective alternative to conventional methods, often involving complex chemical processes and significant material losses. This study focuses on the relithiation of cathode materials from quality control reject (QCR) and end‐of‐life (EoL) Li‐ion cells to restore their physical structure, morphology, and electrochemical performance. Two NMC532/graphite pouch cells from the same manufacturer were studied. QCR cells, stored under ambient conditions, experienced corrosion and degradation before recycling, while EoL cells were cycled to the end of life. The cells were disassembled, and the cathode materials were delaminated using NaOH solution, then relithiated with LiOH at 700 °C for 15 hours in the air. Extensive characterization analyzed elemental composition, structural properties, thermal stability, and particle size distribution. Results indicated that relithiation successfully restored lithium content and improved the structural ordering and morphology of the cathode materials. The electrochemical performance of the relithiated cathodes exhibited good stability over 100 charge‐discharge cycles. The relithiated QCR samples achieved a capacity of 155.57 mAh g−1, while EoL samples reached 152.53 mAh g−1, comparable to pristine materials. This study highlights relithiation's potential to extend the lifecycle of Li‐ion cathodes, contributing to a more sustainable circular economy for battery materials