Search Results (407)

Theranostic agents enable the simultaneous diagnosis and treatment of diseases, and they are particularly useful in fluorescent imaging and cancer therapies. In this study, carbon quantum dots were synthesized via a microwave-assisted method using citric acid and bovine serum albumin (BSA) as precursors. The resulting CQDs exhibited spherical morphology, an average size of 4 nm, and an amorphous graphitic structure. FT-IR characterization revealed the presence of amide bonds and oxygenated functional groups. At the same time, optical analysis showed excitation at 320 nm and emission between 360 and 400 nm, with fluorescent stability maintained for one month. Furthermore, the CQDs demonstrated good thermal stability and photothermal efficiency, reaching temperatures above 41 °C within 15 min under NIR irradiation, with a mass loss of less than 1%. Their stability was evaluated in media with different pH levels, simulating physiological and tumor environments. While their behavior was affected under acidic conditions, their excellent photothermal conversion capacity and overall stability in triple-distilled water positioned them as promising candidates for theranostic applications in cancer, effectively combining diagnostic imaging and thermal therapy. Full article

This study evaluated fecal near-infrared spectroscopy (fNIRS) potential to predict three external markers (Yb, Ti, and polyethylene glycol (PEG)) and dry matter digestibility (DMD) calculated from these markers and fiber fractions. A total of 192 fecal samples were collected from 576 Ross 308 male chicks supplemented with TiO₂ (2 g/kg), Yb₂O₃ (50 mg/kg), and PEG (5 g/kg) for 8 d. Reference values for Ti and Yb were obtained using an inductively coupled plasma–optical emission spectrometer, for fiber fractions via ANKOM, and for PEG content using an ad hoc fNIRS model. Prediction models were developed in external validation with 25% of the samples. Good and fair prediction models were built for Ti and Yb, respectively, and considered adequate for rough screening. The DMD models based on Yb and ADF were unreliable, whereas the model based on Ti was suitable for rough screening. The PEG prediction model built during the adaptation period performed exceptionally well; however, the DMD prediction based on PEG highlighted limitations due to diet differences during both the adaptation and experimental periods. In conclusion, fNIRS shows promise for screening Ti and Yb fecal content and DMD using Ti. However, tailored PEG prediction equations need to be developed for each specific diet. Full article

Personal lifestyle choices contribute up to 75% of national emissions and yet the greenhouse gas (GHG) inventories included in the National Inventory Report (NIR) of Canada provide limited insight on these choices. Better insight can be found using carbon footprint calculators that estimate individual emissions; however, they vary in regard to their input parameters, output data, and calculation methods. This study assessed five calculators, which are popular with the public, or compatibility with the Canadian NIR. A quantitative scoring matrix was developed to assess the output depth, academic proficiency, and effectiveness of the calculators to inform lifestyle changes, alongside NIR alignment. The results showed that the calculator with the overall highest cumulative score across all the comparative criteria was the one offered by Carbon Footprint Ltd. The other calculators that scored highly include CoolClimate Calculator and Carbon Independent. The potential of the calculators in regard to informing low-carbon lifestyles can be improved through the incorporation of more depth in terms of capturing the purchase information of goods and services and providing detailed secondary information to users, including mitigation strategies and carbon offset options. The main driver of incompatibility between the calculator tools and the NIR was the different approaches taken to the emissions inventory, with the NIR using a territorial framework and the calculators being consumption driven. The outcomes of this study demonstrate a global need for the evolution of NIR structuring to increase its relatability with citizens and for the improved standardization of publicly available tools. Full article

Reclaimed fields have a low soil fertility and low productivity compared to conventional arable land, necessitating research on productivity enhancement. The rice–frog co-culture model is an ecologically intensive practice that combines biodiversity objectives with agricultural production needs, offering high ecological and economic value. However, there is a lack of research on this model that has focused on factors other than soil nutrient levels. The present study evaluated the rice–frog co-culture model in a reclaimed paddy field across three experimental plots with varying frog stocking densities: a rice monoculture (CG), low-density co-culture (LRF), and high-density co-culture (HRF). We investigated the effects of the frog density on greenhouse gas emissions throughout the rice growth. The rice–frog co-culture model significantly reduced methane (CH₄) emissions, with fluxes highest in the CG plot, followed by the LRF and then HRF plots. This reduction was achieved by altering the soil pH, the cation exchange capacity, the mcrA gene abundance, and the mcrA/pmoA gene abundance ratio. However, there was a contrasting nitrous oxide (N₂O) emission pattern. The co-culture model actually increased N₂O emissions, with fluxes being highest in the HRF plots, followed by the LRF and then CG plots. The correlation analysis identified the soil nosZ gene abundance, redox potential, urease activity, nirS gene abundance, and ratio of the combined nirK and nirS abundance to the nosZ abundance as key factors associated with N₂O emissions. While the co-cultivation model increased N₂O emissions, it also significantly reduced CH₄ emissions. Overall, the rice–frog co-culture model, especially at a high density, offers a favorable sustainable agricultural production model. Full article

Urine-derived and plant-derived benzoic acid can accumulate within soil, and it likely changes the soil microbial community as well as N₂O emissions; however, its mechanism is not clear. This study conducted an incubation experiment to monitor N₂O emissions under low moisture (40% water-filled pore space (WFPS)) and high moisture (85% WFPS) conditions. Metagenomic sequencing and q-PCR methods were used to determine the link between N₂O emissions and the composition and functions of soil microbiota. Benzoic acid (BA) was found to significantly, yet dose-dependently, impact N₂O emissions; that is, low BA concentrations increased N₂O, whereas high BA decreased N₂O. However, this was only found under high moisture conditions. In contrast, BA had little impact on N₂O emissions under low moisture conditions. Under high moisture conditions, BA increased the gene copy number of bacteria and fungi, and decreased the ratio of bacteria to fungi. Similarly, BA significantly increased the abundance of denitrification functional genes, but reduced the (NirS + NirK)-to-NosZ ratio at the peak of emission. This is in agreement with the observation of the increased relative abundance of genes encoding N₂O reductase (EC 1.7.2.4) and NO₃⁻ heterotrophic reductase (EC 1.7.1.15, EC 1.7.2.2) in the metagenomic analysis. In summary, high concentrations of benzoic acid reduce N₂O emissions by promoting the reduction of N₂O. This study revealed the impact of BA on soil microbiota and highlighted the favorable conditions and underlying mechanism behind BA’s significant impact on soil N₂O emissions. This study’s novelty lies in the fact that it deepens our understanding of the complicated role of root exudates and metabolites of animals and plants in soil. Full article

This study investigates near-infrared (NIR)-induced, Phyto-enhanced, second harmonic generation-mediated photodynamic therapy (Phyto-SHG-PDT) using barium titanate (BT)/rhein/polyethylene glycol 100 (PEG100) and BT/Yemenite “Etrog” leaf extract/PEG100 nanoconjugates. We compare continuous-wave (CW), multi-line Argon-ion laser illumination in the NIR range with high-peak-power femtosecond (fs) 800 nm pulses. Under CW NIR light, BT/rhein nanoconjugates reduced PC3 prostate cancer cell viability by 18% versus non-irradiated controls (p < 0.05), while BT/extract nanoconjugates exhibited 15% dark toxicity. The observed SHG signal matched theoretical predictions and previous CW laser studies. Reactive Oxygen Species (ROS) scavenger 1,3-diphenyl-isobenzofuran (DPBF) showed reduced absorbance at 410 nm upon NIR illumination, indirectly supporting SHG emission at 400 nm from nanoconjugates. Under fs-pulsed laser exposure, pronounced two-photon absorption (TPA) and SHG effects were observed in both nanoconjugate types. Our results demonstrate the effectiveness of BT/rhein nanoconjugates under both laser conditions, while the BT/extract nanoconjugates benefited from high-power pulsed excitation. These results highlight the potential of BT-based Phyto-SHG-PDT nanoconjugates for NIR and blue light applications, leveraging nonlinear optical effects for advanced photochemical cancer therapies. Full article

Nitrous oxide (N₂O) emissions from paddy soils significantly contribute to global warming; however, the regulatory mechanisms of microbial denitrification remain poorly understood. This study investigated the biotic and abiotic drivers of N₂O production and reduction across seven paddy soils spanning China’s major rice-growing regions, using integrated qPCR, incubation experiments, and multivariate analyses. Results demonstrated niche partitioning among denitrifying microorganisms. Pearson correlation analysis demonstrated significant positive correlations between potential N₂O production rates and the abundances of denitrification genes (nirS, nirK, and fungal nirK), as well as between N₂O reduction rates and nosZ gene abundances (both clade I and II). Key soil chemical properties, including pH, total carbon (TC), and NH₄⁺-N content, showed significant relationships with both potential N₂O production rates and reduction rates. Furthermore, random forest analysis identified nirS, fungal nirK, TC, and pH as key predictors of N₂O production, while nosZ (clade I and II), TC, and pH governed N₂O reduction. Structural equation modeling revealed that nirS-type bacteria predominantly drove N₂O production, whereas nosZ II-encoded microorganisms primarily mediated N₂O reduction. Moreover, TC exhibited direct positive effects on both processes, while pH indirectly influenced N₂O production by regulating nirS abundance and affected reduction via nosZ Ⅱ modulation. These findings provide a mechanistic framework for mitigating agricultural denitrification-derived N₂O emissions through a targeted management of soil carbon and pH conditions to optimize complete denitrification. Full article

The mineral composition of table salt can be indicative of its origin. This work evaluated the possibility of identifying the origin of salt from four countries: Brazil, Spain, France, and Portugal. Eight metals were quantified through flame atomic absorption/emission spectroscopy (FAAS). The possibility of using portable near-infrared spectroscopy (NIR) as a faster and lower-cost alternative for identifying salt provenance was also evaluated. The content of Ca, Mg, Fe, Mn, and Cu was identified as possible markers to differentiate the salt origin. One-class classifiers using FAAS data and DD-SIMCA could discriminate the salt origin with few misclassifications. For NIR spectroscopy, it was possible to highlight the importance of controlling the humidity and granulometry before the spectra acquisition. After drying and milling the samples, it was possible to discriminate between samples based on the interaction between the water of hydration and the presence of the cations in the sample. The Mg, Mn, and Cu are important in identifying the origin of salt using NIR spectra. The DD-SIMCA model using NIR spectra could classify the origin with the same performance as observed in FAAS. However, it is important to emphasize that NIR spectroscopy requires less sample preparation, is faster, and has low-cost instrumentation. Full article

Photosensitizers with high singlet oxygen (¹O₂) generation capacity under near-infrared (NIR) irradiation are essential and challenging for photodynamic therapy (PDT). A simple yet effective molecular design strategy is realized to construct 1 + 1 > 2 photosensitizers with synergistic effects by covalently integrating iridium complexes with cyanine via ether linkages, as well as introducing aldehyde groups to suppress non-radiative decay, named CHO−Ir−Cy. It is demonstrated that CHO−Ir−Cy successfully maintains the NIR absorption and emission originated from cyanine units and high ¹O₂ generation efficiency from the iridium complex part, which gives full play to their respective advantages while compensating for shortcomings. Density functional theory (DFT) calculations reveal that CHO−Ir−Cy exhibits a stronger spin–orbit coupling constant (ξ (S1, T1) = 9.176 cm⁻¹) and a reduced energy gap (ΔE = −1.97 eV) between triplet excited states (T₁) and first singlet excited states (S₁) compared to parent Ir−Cy or Cy alone, directly correlating with its enhanced ¹O₂ production. Remarkably, CHO−Ir−Cy demonstrates superior cellular internalization in 4T1 murine breast cancer cells, generating substantially elevated ¹O₂ yields compared to individual Ir−Cy/Cy under 808 nm laser irradiation. Such enhanced reactive oxygen species production translates into effective cancer cell ablation while maintaining favorable biocompatibility, significant phototoxicity and negligible dark toxicity. This molecular engineering strategy overcomes the inherent NIR absorption limitation of traditional iridium complexes and ensures their own high ¹O₂ generation ability through dye–metal synergy, establishing a paradigm for designing metal–organic photosensitizers with tailored photophysical properties for precision oncology. Full article

Herein, we study a method for developing a broad-emission emitter that can emit radiation from the visible light to NIR regions. Firstly, an NIR phosphor’s optical properties (e.g., scattering vs. weight concentration, conversion efficiency, and emission spectra under blue and red light excitation) are investigated. Then, pcW-LEDs encapsulated with NIR down-conversion phosphor samples are prepared to test these optical properties. The results show that pcW-LEDs encapsulated with the NIR phosphor at different weight concentrations of 10.0%, 12.5%, and 15.5%, respectively, emit a broadband emission from 400 nm to 900 nm. The EQE values of the pcW-LEDs encapsulated with NIR phosphor at weight concentrations of 10%, 12.5%, and 15.0% are 26%, 23%, and 19%, respectively. The correlated color temperatures of these samples are 5767 K, 5940 K, and 6068 K, respectively. The obtained radiant fluxes of the samples are 26 mW, 22 mW, and 18 mW, respectively, at an injection current of 50 mA. Full article

Near-infrared (NIR) rhodamine dyes are pivotal for bioimaging due to the minimal tissue interference. Yet, their rational design is hindered by unreliable computational methods for excited-state property prediction. We benchmarked the time-dependent density functional theory (TDDFT) with the linear-response (LR) and state-specific (SS) solvation models across five functionals (CAM-B3LYP, M06-2X, ωB97X-D, B3LYP, MN15) and optimized the ground/excited states for 42 rhodamine derivatives. A robust linear calibration framework was established by connecting the computed and experimental wavelengths, which was rigorously validated through six-fold cross-validation. The key metrics included the mean absolute error (MAE) and R² to assess the prediction robustness. CAM-B3LYP combined with LR solvation achieved the highest accuracy (absorption: MAE = 6 nm, R² = 0.94; emission: MAE = 12 nm, R² = 0.72). By integrating the TDDFT with a calibrated linear-response solvation model, we achieved sub-12 nm accuracy in predicting the NIR fluorescence peaks. This framework enabled the rational design of nine novel rhodamine derivatives with emissions beyond 700 nm, offering a paradigm shift in bioimaging probe development. Full article

Although tropical ecosystems have become increasingly vulnerable to fire over the past century, the mechanisms by which fire disturbance influences N₂O emissions in these regions remain poorly understood. This study investigated the effects of fire on nitrous oxide (N₂O) emissions, the gross nitrification rate (GN), denitrification genes, and carbon (C) and nitrogen (N) fractions in a tropical forest. The results showed that fire increased the GN by 41.5%. The abundance of the nirK and nirS genes encoding nitrite reductase increased by 16.3% and 27.5%, respectively, while the abundance of the nosZI gene encoding N₂O reductase increased by 28%, suggesting a potentially enhanced denitrification capacity. This enhancement in nitrification and denitrification was mainly due to increased easily oxidizable organic C (EOC, +35%), light fraction organic C (LFOC, +32%), hydrolyzable ammonium N (HAN, +13%), and amino sugar N (ASN, +11%), which provided additional substrates for nitrification and denitrification. As a result, soil N₂O emissions increased by 18% in response to fire. Soil N₂O emissions showed a significant and positive linear correlation with GN, EOC, LFOC, HAN, nirK, nirS, and nosZI. Thus, the post-fire increase in N₂O emissions is likely driven by enhanced nitrification and denitrification processes, facilitated by the elevated availability of labile C and N fractions. Our findings provide new evidence for the role of soil C and N fractions in controlling N₂O emission and nitrification–denitrification under fire disturbances in tropical soils. Full article

A series of novel fluorescent donor–acceptor–donor (D-A-D) dyes containing [1,2,5]oxadiazolo[3,4-d]pyridazine and its 1-oxide as electron-withdrawing groups has been synthesized and thoroughly investigated using X-ray diffraction and molecular spectroscopy methods. This study showed that the introduction of N-oxide into the 1,2,5-oxadiazole ring in the acceptor fragment leads to a significant decrease in the luminescence intensity and quantum yield of the dyes. A comprehensive comparison of the photophysical properties of the obtained compounds containing the 1,2,5-oxadiazole ring with the previously studied [1,2,5]thia- and 1,2,5-selenadiazolo[3,4-d]pyridazine analogs showed that the oxygen substitution in the acceptor fragment shifts the phosphorescence maximum from the NIR region of 980–1100 nm to the red region of 690–770 nm. In contrast, for oxygen- and sulfur-containing dyes, purely red fluorescence with a maximum in the spectral range of 620–900 nm is observed. The crystal structures of furoxan-containing 3d·½CHCl₃ and furazan-containing 4d exhibit a non-planar [1,2,5]oxadiazolo[3,4-d]pyridazine fragment. We have found that short non-covalent interactions of the furoxan system with a lattice chloroform molecule in 3d lead to luminescence quenching. Meanwhile, in the 4d dye, the intermolecular π-π interactions of pyridazine nitrogen atoms with the N-carbazolyl group of the adjacent molecule should facilitate intermolecular charge transfer (ICT) emission. Thus, the luminescence maxima for these dyes can be tuned across a broad range of 700–1100 nm by varying the number of chalcogen atoms, highlighting the potential for tailoring optical properties in optoelectronic applications. Full article

The development and characterization of a sustainable carboxymethylcellulose (CMC)-based material hosting Egyptian blue (EB) as a luminophore with emission in both the visible and NIR regions is herein presented and discussed, demonstrating its potential to be applied in a variety of applications, such as bioimaging, sensing, and security marking. Solution casting was used to synthesize the films, with citric acid (CA) as a crosslinking agent. Fully characterization was performed using attenuated total reflection (ATR) and coherent anti-Stokes Raman scattering (CARS) spectroscopy, zeta potential, UV–Vis, and photoluminescence (PL) spectroscopy, and thermal analysis techniques, such as thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The results confirm the effective crosslinking of CMC with CA within CMC–EB–CA films with 1.5 and 3% of EB. The introduction of EB retained its usual NIR emission with λ_em max = ~950 nm reaching quantum yield values in the range of 11.2–12.8% while also enabling a stable dispersion within the CMC matrix, as confirmed using CARS imaging and zeta potential. Additionally, the CMC films exhibited the characteristic clustering-triggered emission (CTE) in the blue region at 430 nm with a slight increase in luminescence quantum yield (Φ) from 5.8 to 6.1% after crosslinking with citric acid. Full article

The denitrification process is the main process of the soil nitrogen (N) cycle in paddy fields, which leads to the production of large amounts of nitrous oxide (N₂O) and increases N loss in paddy soil. Plant-derived bio denitrification inhibitor procyanidins are thought to inhibit soil denitrification, thereby reducing N₂O emissions and soil N loss. However, the denitrification inhibition effect of procyanidins in paddy soils with high organic matter content remains unclear, and their high price is not conducive to practical application. Therefore, this study conducted a 21-day incubation experiment using low-cost proanthocyanidins (containing procyanidins) and paddy soil with high organic matter content in Northeast China to explore the effects of proanthocyanidins on N₂O emissions and related microorganisms in paddy soil. The results of the incubation experiment showed that the application of proanthocyanidins in paddy soil in Northeast China could promote the production of N₂O in the first three days but inhibited the production of N₂O thereafter. Throughout the incubation period, proanthocyanidins inhibited the enzyme nitrate reductase (NaR) activity and the abundance of nirS and nirk denitrifying bacteria, with a significant dose-response relationship. Although the application of proanthocyanidins also reduced the soil nitrate nitrogen (NO₃⁻-N) content, the soil NO₃⁻-N content increased significantly with increasing incubation time. In addition, the application of proanthocyanidins increased soil microbial respiration, ammonia-oxidizing archaea (AOA) amoA gene abundance, and soil ammonium nitrogen (NH₄⁺-N) content. Therefore, the application of proanthocyanidins to paddy soil in Northeast China can effectively regulate denitrification. However, in future studies, it is necessary to explore the impact of proanthocyanidins on the nitrification process and use them in combination with urease inhibitors and/or nitrification inhibitors to better regulate soil N transformation and reduce N₂O emissions in paddy soil. Full article