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40 pages, 1112 KiB  
Article
Assessment of Indoor Thermo-Hygrometric Conditions and Energy Demands Associated to Filters and Dampers Faults via Experimental Tests of a Typical Air-Handling Unit During Summer and Winter in Southern Italy
by Antonio Rosato, Mohammad El Youssef, Rita Mercuri, Armin Hooman, Marco Savino Piscitelli and Alfonso Capozzoli
Energies 2025, 18(3), 618; https://doi.org/10.3390/en18030618 - 29 Jan 2025
Abstract
Faults of heating, ventilation, and air-conditioning (HVAC) systems can cause significant consequences, such as negatively affecting thermal comfort of occupants, energy demand, indoor air quality, etc. Several methods of fault detection and diagnosis (FDD) in building energy systems have been proposed since the [...] Read more.
Faults of heating, ventilation, and air-conditioning (HVAC) systems can cause significant consequences, such as negatively affecting thermal comfort of occupants, energy demand, indoor air quality, etc. Several methods of fault detection and diagnosis (FDD) in building energy systems have been proposed since the late 1980s in order to reduce the consequences of faults in heating, ventilation, and air-conditioning (HVAC) systems. All the proposed FDD methods require laboratory data, or simulated data, or field data. Furthermore, the majority of the recently proposed FDD methods require labelled faulty and normal data to be developed. Thus, providing reliable ground truth data of HVAC systems with different technical characteristics is of great importance for advances in FDD methods for HVAC units. The primary objective of this study is to examine the operational behaviour of a typical single-duct dual-fan constant air volume air-handling unit (AHU) in both faulty and fault-free conditions. The investigation encompasses a series of experiments conducted under Mediterranean climatic conditions in southern Italy during summer and winter. This study investigates the performance of the AHU by artificially introducing seven distinct typical faults: (1) return air damper kept always closed (stuck at 0%); (2) fresh air damper kept always closed (stuck at 0%); (3) fresh air damper kept always opened (stuck at 100%); (4) exhaust air damper kept always closed (stuck at 0%); (5) supply air filter partially clogged at 50%; (6) fresh air filter partially clogged at 50%; and (7) return air filter partially clogged at 50%. The collected data from the faulty scenarios are compared to the corresponding data obtained from fault-free performance measurements conducted under similar boundary conditions. Indoor thermo-hygrometric conditions, electrical power and energy consumption, operation time of AHU components, and all key operating parameters are measured for all the aforementioned faulty tests and their corresponding normal tests. In particular, the experimental results demonstrated that the exhaust air damper stuck at 0% significantly reduces the percentage of time with indoor air relative humidity kept within the defined deadbands by about 29% (together with a reduction in the percentage of time with indoor air temperature kept within the defined deadbands by 7.2%) and increases electric energy consumption by about 13% during winter. Moreover, the measured data underlined that the effects on electrical energy demand and indoor thermo-hygrometric conditions are minimal (with deviations not exceeding 5.6% during both summer and winter) in the cases of 50% clogging of supply air filter, fresh air filter, and return air filter. The results of this study can be exploited by researchers, facility managers, and building operators to better recognize root causes of faulty evidences in AHUs and also to develop and test new FDD tools. Full article
13 pages, 503 KiB  
Article
Correlates of Inaccuracy in Reporting of Energy Intake Among Persons with Multiple Sclerosis
by Stephanie L. Silveira, Brenda Jeng, Barbara A. Gower, Gary R. Cutter and Robert W. Motl
Nutrients 2025, 17(3), 438; https://doi.org/10.3390/nu17030438 - 25 Jan 2025
Viewed by 236
Abstract
Background/Objectives: Persons with multiple sclerosis (MS) are interested in diet as a second-line approach for disease management. This study examined potential variables that correlate with inaccuracy of self-reported energy intake (EI) in adults with MS. Methods: Twenty-eight participants completed two assessment appointments within [...] Read more.
Background/Objectives: Persons with multiple sclerosis (MS) are interested in diet as a second-line approach for disease management. This study examined potential variables that correlate with inaccuracy of self-reported energy intake (EI) in adults with MS. Methods: Twenty-eight participants completed two assessment appointments within a 14-day period that included a standard doubly labeled water (DLW) protocol for estimating total energy expenditure (TEE). The participants reported their EI using the Automated Self-Administered 24 h (ASA24) Dietary Assessment Tool. The primary variables of interest for explaining the discrepancy between TEE and ASA24 EI (i.e., inaccuracy) included cognition (processing speed, visuospatial memory, and verbal memory), hydration status (total body water), and device-measured physical activity. Pearson’s correlations assessed the association between absolute and percent inaccuracy in reporting of EI with outcomes of interest, followed by linear regression analyses for identifying independent correlates. Results: California Verbal Learning Test—Second Edition (CVLT-II) z-scores and light physical activity (LPA) were significantly associated with mean absolute difference in EI (r = –0.53 and r = 0.46, respectively). CVLT-II z-scores and LPA were the only variables significantly associated with mean percent difference in EI (r = –0.48 and r = 0.42, respectively). The regression analyses indicated that both CVLT-II and LPA significantly explained variance in mean absolute difference in EI, and only CVLT-II explained variance for percent difference in EI. Conclusions: The results from this study indicate that verbal learning and memory and LPA are associated with inaccuracy of self-reported EI in adults with MS. This may guide timely research identifying appropriate protocols for assessment of diet in MS. Full article
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<p>Flow diagram of recruitment and enrollment of participants for study examining the validity of energy intake reporting among persons with multiple sclerosis.</p>
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15 pages, 722 KiB  
Article
Nutritional Quality of Plant-Based Fish and Seafood Analogs: A Study of the Italian Market
by Lara Chehade, Donato Angelino, Cristian Del Bo’, Rebecca Maggioni, Nicoletta Pellegrini, Patrizia Riso and Daniela Martini
Foods 2025, 14(3), 394; https://doi.org/10.3390/foods14030394 - 25 Jan 2025
Viewed by 363
Abstract
Among plant-based analogs, fish and seafood analogs (PBFSAs) represent a growing sector. This study analyzed the nutritional quality of PBFSAs in Italy and compared it to their animal-based counterparts. Nutritional declarations, ingredient lists, and claims were collected from PBFSA food labeling. Nutri-Scores of [...] Read more.
Among plant-based analogs, fish and seafood analogs (PBFSAs) represent a growing sector. This study analyzed the nutritional quality of PBFSAs in Italy and compared it to their animal-based counterparts. Nutritional declarations, ingredient lists, and claims were collected from PBFSA food labeling. Nutri-Scores of PBSFAs and animal-based counterparts were also determined as nutritional quality indicators. Fifty-one products were collected, with most attributed to tuna, salmon, and cod categories (n = 18, 12, and 14, respectively). Results showed large heterogeneity in nutritional quality, with cod products having higher energy (217 (201–257) kcal/100 g), protein (10.5 (7.9–13.0) g/100 g), and carbohydrate (19.4 (14.2–26.0) g/100 g) levels, while tuna and salmon products had a higher fat content (15.0 (10.0–19.7) and 13.5 (5.0–17.0) g/100 g, respectively). Products with fiber or fat nutrition claims did not necessarily indicate higher fiber or lower fat content, while products with a protein claim had a higher protein content. Most animal-based counterparts, except cod and sturgeon caviar, received an “A” Nutri-Score, and often scored better than the PBSFA due to lower salt content. In conclusion, PBFSAs on the market should not be considered animal product analogs regarding nutritional quality, but drawing definitive conclusions is challenging due to the limited number and high variability of the products. However, these findings provide insights that may improve PBFSA nutritional quality, such as decreasing salt and sugar content, for people trying to incorporate such foods into their diet. Full article
(This article belongs to the Special Issue Plant-Based Alternatives: A Perspective for Future Food)
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<p>Values of (<b>A</b>) energy, (<b>B</b>) total fat, (<b>C</b>) saturates, (<b>D</b>) salt, (<b>E</b>) total carbohydrate, (<b>F</b>) sugars, (<b>G</b>) protein, and (<b>H</b>) fiber of PBFSAs (blue dots) and animal-based fish and sea products (red dots) [<a href="#B28-foods-14-00394" class="html-bibr">28</a>]. For each plot, the 7 categories on the <span class="html-italic">x</span>-axis are expressed as follows: (1) tuna, (2) salmon, (3) cod, (4) mackerel, (5) squid, (6) shellfish/prawn, (7) roe/sturgeon caviar.</p>
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<p>Values of (<b>A</b>) energy, (<b>B</b>) total fat, (<b>C</b>) saturates, (<b>D</b>) salt, (<b>E</b>) total carbohydrate, (<b>F</b>) sugars, (<b>G</b>) protein, and (<b>H</b>) fiber of PBFSAs (blue dots) and animal-based fish and sea products (red dots) [<a href="#B28-foods-14-00394" class="html-bibr">28</a>]. For each plot, the 7 categories on the <span class="html-italic">x</span>-axis are expressed as follows: (1) tuna, (2) salmon, (3) cod, (4) mackerel, (5) squid, (6) shellfish/prawn, (7) roe/sturgeon caviar.</p>
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<p>Nutri-Score (A–E) for categories of PBFSAs and animal-based counterparts. Animal-based categories include the following: tuna in oil (drained), fresh salmon, cod fish sticks, mackerel fillet in oil, frozen squid, prawns, and sturgeon caviar. Data are reported as percentages of products within a category that have received the same score. For animal-based and plant-based categories with a uniform color, the score is derived from a single product. Each color corresponds to a specific Nutri-Score.</p>
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15 pages, 3433 KiB  
Article
Comprehensively Understanding the Transformation of Paramagnetic Tetramer to Spin-Paired Dimer in an S = ½ Molecular Crystal
by Yin Qian, Yan Gao, Lei Xu, Reinhard K. Kremer, Jin Zhang and Xiao-Ming Ren
Magnetochemistry 2025, 11(2), 8; https://doi.org/10.3390/magnetochemistry11020008 - 24 Jan 2025
Viewed by 262
Abstract
In this study, we comparatively analyzed the variable-temperature crystal structures for two isomorphous salts, [1-benzyl-4-aminopyridinium][M(mnt)2] (M = Ni or Cu; mnt2− = maleonitriledithiolate; labeled as APy-Ni or APy-Cu). Both salts crystallize in the triclinic P–1 space group at [...] Read more.
In this study, we comparatively analyzed the variable-temperature crystal structures for two isomorphous salts, [1-benzyl-4-aminopyridinium][M(mnt)2] (M = Ni or Cu; mnt2− = maleonitriledithiolate; labeled as APy-Ni or APy-Cu). Both salts crystallize in the triclinic P–1 space group at 296 K, comprising linear [M(mnt)2] (M = Ni or Cu) tetramers. A magnetostructural phase transition occurs at TC~190 K in S = ½ APy-Ni at ambient pressure, with a conversion of paramagnetic tetramers into nonmagnetic spin-paired dimers. The discontinuous alteration of cell parameters at TC signifies the characteristic of first-order phase transition in APy-Ni. No such transition appears in the nonmagnetic APy-Cu within the same temperature vicinity, demonstrating the magnetic interactions promoting the structural phase transition in APy-Ni, which is further reinforced through a comparison of the lattice formation energy between APy-Ni and APy-Cu. The phase transition may bear a resemblance to the mechanisms typically observed in spin-Peierls systems. We further explored the magnetic and phase transition properties of APy-Ni under varying pressures. Significantly, TC shows a linear increase with rising pressure within the range of 0.003–0.88 GPa, with a rate of 90 K GPa−1, manifesting that the applied pressure promotes the transition from tetramer to dimer. Full article
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<p>(<b>a</b>) An asymmetric unit (here, all hydrogen atoms omitted for clarity), (<b>b</b>) packing diagram viewed along a-axis wherein the cations with N10 and N12 are represented in the translucent and opaque modes, (<b>c</b>) arranging manner of anions viewed along a-axis wherein the anions with Ni1 and Ni2 are represented in the translucent and opaque modes, (<b>d</b>) tetrameric chain of anions along a-axis in <b>APy-Ni</b>.</p>
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<p>(<b>a</b>) An asymmetric unit (here, all hydrogen atoms omitted for clarity), (<b>b</b>) packing diagram viewed along a-axis wherein the cations with N10 and N12 are represented in the translucent and opaque modes, (<b>c</b>) arranging manner of anions viewed along a-axis wherein the anions with Ni1 and Ni2 are represented in the translucent and opaque modes, (<b>d</b>) tetrameric chain of anions along a-axis in <b>APy-Ni</b>.</p>
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<p>Schematic illustration of (<b>a</b>) typical intermolecular Ni…Ni, Ni…S, and S…S distances in an anion tetramer, (<b>b</b>) the separation of mean molecule plane between neighboring anions in an anion tetramer, (<b>c</b>) the S…S contacts between adjacent anion tetramers, (<b>d</b>) the charge-assisted H-bonds between adjacent anions and cations, (<b>e</b>) the shortest C…C distance between phenyl and pyridyl rings of neighboring cations, and top view of an anion tetramer in (<b>f</b>) HTP and (<b>g</b>) LTP in <b>APy-Ni</b>.</p>
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<p>(<b>a</b>) Temperature-dependent unit cell parameters; (<b>b</b>) variable-temperature powder X-ray patterns around phase transition for <b>APy-Ni</b>.</p>
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<p>(<b>a</b>) Plot of <span class="html-italic">χ<sub>m</sub></span> vs. <span class="html-italic">T</span> in the temperature range of 5–400 K on heating (the solid squares and red/blue lines represent the experimental data and fits, respectively); (<b>b</b>) the low-lying state energy level diagram for a linear <span class="html-italic">S</span> = ½ tetramer (<span class="html-italic">J</span><sub>1</sub><span class="html-italic">/k</span><sub>B</sub> = −101 K and <span class="html-italic">J</span><sub>2</sub><span class="html-italic">/k</span><sub>B</sub> = 161 K) in the HTP for <b>APy-Ni</b>.</p>
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<p>(<b>a</b>) DSC plots of <b>APy-Ni</b> in the heating–cooling cycle and (<b>b</b>) temperature-dependent magnetic susceptibility of <b>APy-Ni</b> showing a small hysteresis loop close to the phase transition.</p>
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<p>EPR spectra of a powdered polycrystalline sample of <b>APy-Ni</b> at (<b>a</b>) 160 and 170 K (inset: <span class="html-italic">χ</span><sub>m</sub>–<span class="html-italic">T</span> plots in 110–190 K) and (<b>b</b>) 110, 140, and 150 K.</p>
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<p>(<b>a</b>) Plots of d(<span class="html-italic">χ</span><sub>m</sub><span class="html-italic">T</span>)/d<span class="html-italic">T</span> vs. <span class="html-italic">T</span> at different external pressures and (<b>b</b>) pressure dependence of <span class="html-italic">T<sub>C</sub></span> for <b>APy-Ni</b>.</p>
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18 pages, 3812 KiB  
Article
Dual-Activated Tamarix Gallica-Derived Carbons for Enhanced Glyphosate Adsorption: A Comparative Study of Phosphoric and Sulfuric Acid Activation
by Saliha Benaoune, Abdelkarim Merzougui, Rania Remmani, Narimene Bouzidi, Antonio Ruiz-Canales, Imane Akacha and Amir Djellouli
Materials 2025, 18(3), 511; https://doi.org/10.3390/ma18030511 - 23 Jan 2025
Viewed by 267
Abstract
This study investigates the efficacy of activated carbons (ACs) derived from Tamarix gallica (TG) leaves for glyphosate removal from aqueous solutions. Two chemical activation methods, using phosphoric acid (H3PO4) and sulfuric acid (H2SO4), were compared [...] Read more.
This study investigates the efficacy of activated carbons (ACs) derived from Tamarix gallica (TG) leaves for glyphosate removal from aqueous solutions. Two chemical activation methods, using phosphoric acid (H3PO4) and sulfuric acid (H2SO4), were compared to optimize adsorbent performance. The resulting materials, labeled AC-H3PO4 and AC-H2SO4, were comprehensively characterized using XRD, FTIR, SEM-EDS, BET analysis, and pHpzc determination, revealing distinct physicochemical properties. AC-H3PO4 exhibited a larger surface area (580.37 m2/g) and more developed pore structure compared to AC-H2SO4 (241.58 m2/g). Adsorption kinetics were best described by the pseudo-first-order model for both adsorbents. Isothermal studies demonstrated that AC-H3PO4 followed a pore-filling mechanism best described by the Dubinin–Radushkevich model, while AC-H2SO4 showed multilayer adsorption fitting the Freundlich model. Both adsorbents exhibited high glyphosate removal capacities, with maximum Langmuir adsorption capacities of 247.58 mg/g and 235.13 mg/g for AC-H3PO4 and AC-H2SO4, respectively. The mean free energy of adsorption (E) values confirmed physisorption as the dominant mechanism. This research highlights the potential of TG-derived activated carbons as sustainable and effective adsorbents for glyphosate remediation in water treatment applications, demonstrating the impact of activation methods on adsorption performance. Full article
(This article belongs to the Section Carbon Materials)
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<p>XRD patterns of AC-H<sub>3</sub>PO<sub>4</sub>, AC-H<sub>2</sub>SO<sub>4</sub>, and TG.</p>
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<p>FTIR spectra of AC-H<sub>3</sub>PO<sub>4</sub> and AC-H<sub>2</sub>SO<sub>4</sub>.</p>
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<p>SEM micrographs of AC-H<sub>3</sub>PO<sub>4</sub> sample at increasing magnifications ((<b>a</b>) 100 μm, (<b>b</b>) 30 μm, and (<b>c</b>) 10 μm).</p>
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<p>SEM micrographs of AC-H<sub>2</sub>SO<sub>4</sub> sample at increasing magnifications ((<b>a</b>) 100 μm, (<b>b</b>) 30 μm, and (<b>c</b>) 10 μm).</p>
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<p>Nitrogen adsorption–desorption isotherm of AC-H<sub>3</sub>PO<sub>4</sub> sample.</p>
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<p>Nitrogen adsorption–desorption isotherm of AC-H<sub>2</sub>SO<sub>4</sub> sample.</p>
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<p>pHpzc graphical presentation of AC-H<sub>3</sub>PO<sub>4</sub> and AC-H<sub>2</sub>SO<sub>4</sub> samples.</p>
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<p>Kinetic presentation of GLY adsorption onto AC-H<sub>3</sub>PO<sub>4</sub>: experimental data, PFO and PSO models.</p>
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<p>Kinetic presentation of GLY adsorption onto AC-H<sub>2</sub>SO<sub>4</sub>: experimental data, PFO and PSO models.</p>
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<p>Isotherms presentation of GLY adsorption onto AC-H<sub>3</sub>PO<sub>4</sub>: experimental data and isotherm models.</p>
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<p>Isotherms presentation of GLY adsorption onto AC-H<sub>2</sub>SO<sub>4</sub>: experimental data and isotherm models.</p>
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22 pages, 6110 KiB  
Systematic Review
Uncovering the Metabolic Footprint of New Psychoactive Substances by Metabolomics: A Systematic Review
by Ana Sofia Almeida, Paula Guedes de Pinho, Fernando Remião and Carla Fernandes
Molecules 2025, 30(2), 290; https://doi.org/10.3390/molecules30020290 - 13 Jan 2025
Viewed by 414
Abstract
New psychoactive substances (NPSs) emerged in the 2000s as legal alternatives to illicit drugs and quickly became a huge public health threat due to their easy accessibility online, limited information, and misleading labels. Synthetic cannabinoids and synthetic cathinones are the most reported groups [...] Read more.
New psychoactive substances (NPSs) emerged in the 2000s as legal alternatives to illicit drugs and quickly became a huge public health threat due to their easy accessibility online, limited information, and misleading labels. Synthetic cannabinoids and synthetic cathinones are the most reported groups of NPSs. Despite NPSs being widely studied, due to their structural diversity and the constant emergence of novel compounds with unknown properties, the development of new techniques is required to clarify their mode of action and evaluate their toxicological effects. Metabolomics has been a useful tool to evaluate the metabolic effects of several xenobiotics. Herein, a systematic review was performed, following PRISMA guidelines, regarding metabolomic studies on synthetic cathinones and synthetic cannabinoids to evaluate their effects in cellular metabolism. In the studies, in vivo models were the most employed (86%) and the analysis mostly followed untargeted approaches (75%) using LC-MS techniques (67%). Both groups of NPSs seem to primarily interfere with energy metabolism-related pathways. Even though this type of study is still limited, metabolomics holds great promise as a tool to clarify mechanisms of actions, identify biomarkers of exposure, and explain the toxicological effects of NPSs. Full article
(This article belongs to the Section Medicinal Chemistry)
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<p>Number of new psychoactive substances (NPSs) reported, for the first time, to the EU Early Warning System, by category, from 2005 to 2023 (<b>A</b>) and total combined from 2005 to 2023 (<b>B</b>). Adapted from the European Drug Report of 2024 from EUDA [<a href="#B4-molecules-30-00290" class="html-bibr">4</a>].</p>
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<p>Flow diagram of literature search based on PRISMA guidelines (n = number of scientific articles; time frame: 2012–September 2024; database: PubMed and SCOPUS).</p>
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<p>Doughnut charts illustrating the distribution of NPS classes (<b>A</b>), analytical techniques (<b>B</b>), and metabolomic study approaches that employed synthetic cathinones and cannabinoids (<b>C</b>).</p>
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<p>Doughnut charts illustrating the distribution of the type of samples/models employed in the metabolomic studies with synthetic cathinones and cannabinoids. (<b>A</b>)—<span class="html-italic">in vivo</span> vs. <span class="html-italic">in vitro</span>; (<b>B</b>)—tissue vs. biofluids; (<b>C</b>)—types of tissues; and (<b>D</b>)—types of biofluids.</p>
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<p>The number of metabolites and metabolic pathways found altered in MDPV-exposed primary mouse hepatocytes under normothermic and hyperthermic conditions. Created in BioRender. Almeida, A. (2024) <a href="https://BioRender.com/o94v700" target="_blank">https://BioRender.com/o94v700</a>. TCA: Tricarboxylic acid; *: Chiral center.</p>
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<p>Venn diagram of metabolites altered by MDMA, amphetamine, and mephedrone in human blood samples. Adapted from [<a href="#B29-molecules-30-00290" class="html-bibr">29</a>].</p>
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<p>Summary of the effects of acute or chronic exposure to 5F-APINAC on metabolites related to neurotransmitter pathways in zebrafish. Created in BioRender. Almeida, A. (2024) <a href="https://BioRender.com/i68o167" target="_blank">https://BioRender.com/i68o167</a>. DA: dopamine; GABA: γ-Aminobutyric acid; ↑: Increase ↓: Decrease.</p>
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18 pages, 6815 KiB  
Article
An Energy-Domain IR NUC Method Based on Unsupervised Learning
by Ting Li, Xuefeng Lai, Sheng Liao and Yucheng Xia
Remote Sens. 2025, 17(2), 187; https://doi.org/10.3390/rs17020187 - 7 Jan 2025
Viewed by 338
Abstract
To obtain accurate blackbody temperature, emissivity, and waveband measurements, an energy-domain infrared nonuniformity method based on unsupervised learning is proposed. This method exploits the inherent physical correlation within the calibration dataset and sets the average predicted energy-domain value of the same blackbody temperature [...] Read more.
To obtain accurate blackbody temperature, emissivity, and waveband measurements, an energy-domain infrared nonuniformity method based on unsupervised learning is proposed. This method exploits the inherent physical correlation within the calibration dataset and sets the average predicted energy-domain value of the same blackbody temperature as the learning goal. Then, the coefficients of the model are learned without theoretical radiance labels by leveraging clustering-based unsupervised learning methodologies. Finally, several experiments are performed on a mid-wave infrared system. The results show that the trained correction network is uniform and produces stable outputs when the integration time and attenuator change within the optimal dynamic range. The maximum change in the image corrected using the proposed algorithm was 1.29%. Full article
(This article belongs to the Section Remote Sensing Image Processing)
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<p>The radiometric calibration diagram.</p>
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<p>The relation of radiance concerning the attenuator transmittance, integration time, and gray level of the infrared image.</p>
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<p>The curves of SNR vs. integration time and SNR vs. the transmittance of the attenuator.</p>
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<p>The schematic diagram of blackbody radiance clustering.</p>
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<p>The diagram of the unsupervised learning model.</p>
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<p>The picture of the infrared system.</p>
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<p>The flow chart of the proposed method.</p>
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<p>Training curve of the loss function value.</p>
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<p>The fitting result of the 16 operating points and the relative error of the corresponding point.</p>
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<p>The images corrected by the two-point correction algorithm and their corresponding gray histogram under different integration times.</p>
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<p>The images corrected using the proposed method and their corresponding histogram under different integration times.</p>
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<p>The images corrected by the two-point correction algorithm and their corresponding gray histogram under different attenuator gears.</p>
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<p>The images corrected by the proposed method and their corresponding histograms under different attenuator gears.</p>
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<p>The images corrected by the proposed method and their corresponding histogram under uncalibrated operating points and a calibrated operating point.</p>
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<p>Schematic diagram of the dynamic adjustment process.</p>
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10 pages, 4395 KiB  
Article
Enhancing Terahertz Absorption Spectrum Based on a Tunable Defect Cavity of One-Dimensional Photonic Crystal in the Combined Coaxial Waveguide
by Lu Nie, Xiangjun Li, Dongzhe Chen, Zihao Wang and Dexian Yan
Photonics 2025, 12(1), 14; https://doi.org/10.3390/photonics12010014 - 27 Dec 2024
Viewed by 423
Abstract
Terahertz (THz) molecular fingerprint spectroscopy provides a powerful label-free tool for detecting trace-amount analytes. Introducing extra microstructures such as metasurfaces to confine the field energy is essential to improve the sensitivity. However, the area of analyte film on conventional enhancing metasurfaces must be [...] Read more.
Terahertz (THz) molecular fingerprint spectroscopy provides a powerful label-free tool for detecting trace-amount analytes. Introducing extra microstructures such as metasurfaces to confine the field energy is essential to improve the sensitivity. However, the area of analyte film on conventional enhancing metasurfaces must be larger than the beam spot in a free-space measuring setup. Here, we propose a tunable defect cavity of one-dimensional photonic crystal in the combined coaxial waveguide (CCW) and enhance the broadband THz fingerprint of trace analytes on a much smaller area. The peaks of high Q resonances can form a wide absorption spectrum by changing the length of the rubber part of the coaxial waveguide. For the 0.2 µm α-lactose film sample in the frequency range of 0.48–0.58 THz, the absorption enhancement factor of 89.2 times based on the thickness can be achieved and the sample area is about 1/1700 of that in the free-space measurement with the 5 mm beam waist. We first introduce the coaxial waveguide in the terahertz absorption spectra enhancement. With our proposed structure the analyte volume is effectively reduced which is significant in the real application scenario. Full article
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<p>(<b>a</b>) The tunable one-dimensional photonic crystal defect cavity in the combined coaxial waveguide for THz fingerprint spectra enhancing; (<b>b</b>) the x–z and (<b>c</b>) the y–z plane cross-section of the structure.</p>
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<p>(<b>a</b>) Dispersion lines of the periodic 1D-PC in the free space and the coaxial waveguide. (<b>b</b>) Transmission spectrum of 1D-PC (blue line) with <span class="html-italic">N</span> = 4 and defect 1D-PC (red line) with <span class="html-italic">N</span> = 2. (<b>c</b>) Transmission and reflection spectra of the blank structure. (<b>d</b>) The dielectric spectra of the α-lactose. (<b>e</b>) Transmission and reflection of the structure with 1.0 µm α-lactose. (<b>f</b>) The enhanced absorption spectrum of 1.0 µm α-lactose in the CCW and the enlarged unenhanced absorption spectrum of the same film sample with 38.7 folds.</p>
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<p>The electrical field distribution at resonant frequency (<b>a</b>) the different sections at the 0.5302 THz (<span class="html-italic">d<sub>c</sub></span><sub>1</sub> = 170 µm), (<b>b</b>) without the α-lactose, and (<b>c</b>) with the α-lactose at different <span class="html-italic">d<sub>c</sub></span><sub>1</sub> = 150~170 µm.</p>
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<p>The enhancement factors of our structure with different thicknesses and volumes. (<b>a</b>) The areas of samples under conventional metasurface enhancing scheme by the free space beam and our structure. (<b>b</b>) The enhancement factors of our structure based on the different thicknesses and volumes compared with the enlarged free-standing α-lactose film.</p>
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<p>Transmission spectra of 1D PC1 in the coaxial waveguide with different layers <span class="html-italic">N</span>.</p>
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<p>(<b>a</b>–<b>f</b>) Influence of lactose film thickness <span class="html-italic">d<sub>s</sub></span> and substrate thickness <span class="html-italic">d<sub>p</sub></span> on terahertz enhancement multiplicity, respectively.</p>
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18 pages, 16958 KiB  
Article
Investigating Energy Performance Criteria in Compliance with Iranian National Building Regulations: The Role of Residential Building Envelope Adjacency
by Payam Soltan Ahmadi, Ahmad Khoshgard and Hossein Ahmadi Danesh Ashtiani
Buildings 2025, 15(1), 44; https://doi.org/10.3390/buildings15010044 - 26 Dec 2024
Viewed by 388
Abstract
Energy consumption modeling in buildings is crucial for calculating energy performance indices and establishing criteria for energy labeling. Different countries utilize diverse approaches to calculate these indices based on energy efficiency regulations and classifications. In recent years, Iran has established energy compliance standards, [...] Read more.
Energy consumption modeling in buildings is crucial for calculating energy performance indices and establishing criteria for energy labeling. Different countries utilize diverse approaches to calculate these indices based on energy efficiency regulations and classifications. In recent years, Iran has established energy compliance standards, outlined in Article 19 of the National Building Regulations, to improve the energy efficiency of buildings. This study aims to develop a systematic methodology for assessing energy consumption indicators in residential buildings using the criteria specified in the Iranian National Building Regulations. Our research examines three specific energy standard categories in residential buildings to evaluate the suitability of the energy compliance specifications and identify the distribution of energy indices, rather than relying solely on the fixed values prescribed in the regulations. Initially, three model building shapes were analyzed to demonstrate how different building envelope designs affect energy performance. This study fills a critical research gap by estimating energy consumption indices through a novel methodology that combines regression analysis and Monte Carlo simulation for the three energy classifications specified in Article 19 of the Iranian National Building Regulations. The study employs a permutation approach to evaluate the primary energy consumption indicators and the uncertainties arising from various adjacency configurations. Extensive simulations were conducted, resulting in the development of regression equations that account for the surface area of the building envelope adjacent to the outdoor environment. The Monte Carlo method was used to assess potential fluctuations in the adiabatic area of the building envelope and the area adjacent to the external environment for buildings with varying orientations, allowing for the generation of probability distributions for energy consumption intensities. The sensitivity analysis identified the critical components of the building envelope and their orientation that significantly impact the uncertainty of energy efficiency. The findings revealed that the west and east walls of buildings adjacent to the outdoor environment substantially influence the uncertainty of energy consumption. In contrast, the floor surface and south wall had the least significant effect on annual energy uncertainty. This innovative approach represents a significant advancement in the field. It plays a specific role in energy labeling for buildings by calculating the required standard deviation in energy consumption indices resulting from various envelope adjacencies. This research also has practical implications for building design and energy efficiency measurement. Full article
(This article belongs to the Section Building Energy, Physics, Environment, and Systems)
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<p>Geometry of three prototypical buildings.</p>
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<p>Sensitivity analysis results.</p>
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<p>Building models with local/central heating and cooling systems based on EC/EC+/EC++ configurations.</p>
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<p>Building models with local/central heating and cooling systems based on EC/EC+/EC++ configurations.</p>
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12 pages, 6090 KiB  
Review
The Optical Approaches to Monitor Biomass Ethanol Productions with Optical Microscopic Methods
by Huipeng Gao, Xiaoxiao Li, Xianting Zhang, Rui Li, Hsiang-Chen Chui and Quan Zhang
Photonics 2024, 11(12), 1207; https://doi.org/10.3390/photonics11121207 - 23 Dec 2024
Viewed by 574
Abstract
Oil and natural gas continue to dominate global energy consumption, though a supply gap of 2 million barrels per day (b/d) was reported in the fourth quarter of 2023. Despite a projected increase in global oil supply by 1.2 million b/d in 2023, [...] Read more.
Oil and natural gas continue to dominate global energy consumption, though a supply gap of 2 million barrels per day (b/d) was reported in the fourth quarter of 2023. Despite a projected increase in global oil supply by 1.2 million b/d in 2023, reaching 101.1 million b/d compared to 2022, reliance on fossil fuels poses challenges for energy security and sustainability. For China, transitioning to clean and renewable energy sources is essential. Biofuel ethanol, with its high octane rating and anti-knock properties, is a promising alternative. This bioenergy sector is expanding globally, with cellulosic ethanol production emerging as a key objective. However, the high production cost of cellulosic ethanol presents a significant challenge to its large-scale adoption. To overcome this barrier, various techniques are being explored to reduce production costs. Among them, advanced characterization methods are used to monitor changes in cellulose, lignin, and hemicellulose during ethanol production in situ, quickly and without surface labeling. These methods provide insights into the factors driving high production costs, enabling targeted improvements. This review focuses on the potential of these characterization techniques to optimize ethanol production processes and improve efficiency. The findings may offer a strategic direction for scaling up cellulosic ethanol production and contribute to the sustainability of energy resources by reducing dependency on fossil fuels. Full article
(This article belongs to the Section Optical Interaction Science)
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<p>Tylosis showed a green fluorescence (arrow), and the innermost layer of the vessel cell wall showed a red fluorescence (arrowhead) [<a href="#B23-photonics-11-01207" class="html-bibr">23</a>].</p>
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<p>Dual WGA, Alexa Fluor<sup>®</sup> 488 conjugate, and propidium iodide staining revealed the fungal cell wall (green fluorescence) and wheat straw cell wall (red fluorescence), respectively. Representative micrographs are shown for each treatment. Fungal detection on the wheat straw surface on day 14. Inocula correspond to: (<b>A</b>) anaerobic sludge, (<b>B</b>) native microflora, (<b>C</b>) soil, and (<b>D</b>) ruminal fluids [<a href="#B20-photonics-11-01207" class="html-bibr">20</a>].</p>
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<p>(<b>a</b>) Experimental setup of the Raman spectroscopy system: 1—mirror; 2—beam splitter (small aluminum mirror sputtered on glass plate); 3—lens; 4—glass dewar; 5—edge-filter; 6—lens; 7—spectrometer; 8—sample (frozen cryoprotector solution in the straw); 9 and 10top and bottom air bubbles, respectively; 11—central column (region measured); 12—column bottom side; (<b>b</b>) representative Raman spectrum from a frozen sample [<a href="#B27-photonics-11-01207" class="html-bibr">27</a>].</p>
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<p>Raman images of poplar latewood cross-sections from Raman confocal microscopy. The cell corner (CC) and the compound middle lamella (CML) [<a href="#B14-photonics-11-01207" class="html-bibr">14</a>]. (<b>A</b>–<b>D</b>), Raman images (30 × 20 μm) of a cross section of poplar latewood by integrating over defined wavenumber areas. (<b>A</b>), Intensity of the aromatic lignin band (1550–1640 cm<sup>−1</sup>). (<b>B</b>), C–H str.region (2780–3060 cm<sup>−1</sup>). (<b>C</b>,<b>D</b>), Intensity of bands in the carbohydrate region from 1026 to 1195 cm<sup>−1</sup> (<b>C</b>) and intensity of the 1096 cm<sup>−1</sup> band (1090–1105 cm<sup>−1</sup>; (<b>D</b>)).</p>
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<p>The transition diagrams of infrared, Raman, CARS, TPEF, SHG, and SRS. The arrows represented as the electron transitions between the energy states.</p>
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<p>(<b>a</b>) Schematic diagram of the multimodal nonlinear optical imaging platform. DM—dichroic mirror, M—mirror, BS—beam splitter, BBO—barium boron oxide, GM—galvo mirror, X-/Y-Mirror—X/Y axis scanning mirror, SL—scanning lens, TL—tube lens, OBJ—objective lens, CL—condensing lens, PMT—photomultiplier tube, PC—programmed computer. (<b>b</b>) Top CARS micrographs of lignin distribution in cross-sections of wild-type (WT) and lignin-downregulated alfalfa lines (HCT and C3H). Bottom corresponding line profiles of CARS intensities show different lignin contents across the cell wall layers in the direction shown by the blue arrows [<a href="#B30-photonics-11-01207" class="html-bibr">30</a>,<a href="#B31-photonics-11-01207" class="html-bibr">31</a>].</p>
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<p>(<b>a</b>) The SRS images of untreated cell walls. (<b>A</b>) represents the polysaccharides at 2900 cm<sup>−1</sup> (blue), and (<b>B</b>) represents the lignins at 1600 cm<sup>−1</sup> (red). After delignification, (<b>C</b>), the signal at 2900 cm<sup>−1</sup>, is slightly reduced, and (<b>D</b>), the 1600 cm<sup>−1</sup> signal, is eliminated [<a href="#B8-photonics-11-01207" class="html-bibr">8</a>]. (<b>b</b>) The typical instrumentation of an SRS microscope (electro-optic modulators, EOM) [<a href="#B32-photonics-11-01207" class="html-bibr">32</a>].</p>
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<p>Mosaics of nine SHG/TPEF merged images. F—not treated. AF—aged and not treated. C—COEX<sup>®</sup>-treated. CA—COEX<sup>®</sup>-treated and aged [<a href="#B36-photonics-11-01207" class="html-bibr">36</a>].</p>
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17 pages, 6640 KiB  
Article
Analysis of Tidal Cycle Wave Breaking Distribution Characteristics on a Low-Tide Terrace Beach Using Video Imagery Segmentation
by Hang Yin, Feng Cai, Hongshuai Qi, Yuwu Jiang, Gen Liu, Zhubin Cao, Yi Sun and Zheyu Xiao
Remote Sens. 2024, 16(24), 4616; https://doi.org/10.3390/rs16244616 - 10 Dec 2024
Viewed by 649
Abstract
Wave breaking is a fundamental process in ocean energy dissipation and plays a crucial role in the exchange between ocean and nearshore sediments. Foam, the primary visible feature of wave breaking areas, serves as a direct indicator of wave breaking processes. Monitoring the [...] Read more.
Wave breaking is a fundamental process in ocean energy dissipation and plays a crucial role in the exchange between ocean and nearshore sediments. Foam, the primary visible feature of wave breaking areas, serves as a direct indicator of wave breaking processes. Monitoring the distribution of foam via remote sensing can reveal the spatiotemporal patterns of nearshore wave breaking. Existing studies on wave breaking processes primarily focus on individual wave events or short timescales, limiting their effectiveness for nearshore regions where hydrodynamic processes are often represented at tidal cycles. In this study, video imagery from a typical low-tide terrace (LTT) beach was segmented into four categories, including the wave breaking foam, using the DeepLabv3+ architecture, a convolutional neural networks (CNNs)-based model suitable for semantic segmentation in complex visual scenes. After training and testing on a manually labelled dataset, which was divided into training, validation, and testing sets based on different time periods, the overall classification accuracy of the model was 96.4%, with an accuracy of 96.2% for detecting wave breaking foam. Subsequently, a heatmap of the wave breaking foam distribution over a tidal cycle on the LTT beach was generated. During the tidal cycle, the foam distribution density exhibited both alongshore variability, and a pronounced bimodal structure in the cross-shore direction. Analysis of morphodynamical data collected in the field indicated that the bimodal structure is primarily driven by tidal variations. The wave breaking process is a key factor in shaping the profile morphology of LTT beaches. High-frequency video monitoring further showed the wave breaking patterns vary significantly with tidal levels, leading to diverse geomorphological features at various cross-shore locations. Full article
(This article belongs to the Section Remote Sensing in Geology, Geomorphology and Hydrology)
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<p>(<b>a</b>,<b>b</b>) Geographical location of the study area, monitoring profile positions, and wave gauge locations (red dots); (<b>c</b>) shore-based video monitoring system at Xisha Bay; (<b>d</b>) deployment of the RBR solo3D|wave16 wave gauge.</p>
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<p>(<b>a</b>) Timex video imagery example; (<b>b</b>) the corresponding manually annotated labels used for model training; (<b>c</b>) the proportion of pixels with each label.</p>
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<p>The DeepLabv3+ architecture used in this study.</p>
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<p>Field dynamic observation results at P1 and P2 during the experimental period at Xisha Bay beach. (<b>a</b>) Tidal level; (<b>b</b>) significant wave height; (<b>c</b>) wave energy.</p>
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<p>The aggregated confusion matrix for all categories. The percentages represent the normalized number of pixel points.</p>
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<p>The segmentation results at different tidal levels.</p>
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<p>Heatmap of the wave breaking foam distribution at Xisha Bay beach over a tidal cycle.</p>
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<p>Cross-shore sampling results of the normalized foam density. (<b>a</b>) Profile elevations of P1; (<b>b</b>) the corresponding normalized foam density of P1 positions; (<b>c</b>) profile elevations of P2; (<b>d</b>) the corresponding normalized foam density of P2 positions.</p>
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<p>(<b>a</b>) Sampling positions at different tidal stages: on the low-tide terrace, near the inflection area, and near the beach cusp; (<b>b</b>) the width of the wave breaking foam distribution areas at the different sampling positions for profiles P1 and P2; (<b>c</b>) the corresponding tidal levels.</p>
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<p>Schematics of the wave breaker types on LTT beaches. (<b>a</b>,<b>d</b>) The wave breaker type at low tide with the corresponding snap video imagery; (<b>b</b>,<b>e</b>) the wave breaker type at mid-tide with the corresponding snap video imagery; (<b>c</b>,<b>f</b>) the wave breaker type at high tide with the corresponding snap video imagery.</p>
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<p>(<b>a</b>) Normalized foam density vs. tidal slope at P1 positions; (<b>b</b>) normalized foam density vs. wave energy at P1 positions; (<b>c</b>) normalized foam density vs. beach slope at P1 positions; (<b>d</b>) normalized foam density vs. tidal slope at P2 positions; (<b>e</b>) normalized foam density vs. wave energy at P2 positions; (<b>f</b>) normalized foam density vs. beach slope at P2 positions.</p>
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18 pages, 11734 KiB  
Data Descriptor
Multi-Modal Dataset of Human Activities of Daily Living with Ambient Audio, Vibration, and Environmental Data
by Thomas Pfitzinger, Marcel Koch, Fabian Schlenke and Hendrik Wöhrle
Data 2024, 9(12), 144; https://doi.org/10.3390/data9120144 - 9 Dec 2024
Viewed by 2536
Abstract
The detection of human activities is an important step in automated systems to understand the context of given situations. It can be useful for applications like healthcare monitoring, smart homes, and energy management systems for buildings. To achieve this, a sufficient data basis [...] Read more.
The detection of human activities is an important step in automated systems to understand the context of given situations. It can be useful for applications like healthcare monitoring, smart homes, and energy management systems for buildings. To achieve this, a sufficient data basis is required. The presented dataset contains labeled recordings of 25 different activities of daily living performed individually by 14 participants. The data were captured by five multisensors in supervised sessions in which a participant repeated each activity several times. Flawed recordings were removed, and the different data types were synchronized to provide multi-modal data for each activity instance. Apart from this, the data are presented in raw form, and no further filtering was performed. The dataset comprises ambient audio and vibration, as well as infrared array data, light color and environmental measurements. Overall, 8615 activity instances are included, each captured by the five multisensor devices. These multi-modal and multi-channel data allow various machine learning approaches to the recognition of human activities, for example, federated learning and sensor fusion. Full article
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<p>Distribution of activity instance duration within each class, as well as the minimum, median, and maximum duration. Separated into short and long activities.</p>
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<p>Three examples of activity recordings from multisensor 4. The measurements for the different environmental readings are not depicted as they each consist of a single value for the example.</p>
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<p>The infrared array data from the <span class="html-italic">Walk to room</span> example shown in <a href="#data-09-00144-f002" class="html-fig">Figure 2</a>. The participant enters the sensor’s field of view from the left and then walks away from the sensor. Each second, an <math display="inline"><semantics> <mrow> <mn>8</mn> <mo>×</mo> <mn>8</mn> </mrow> </semantics></math> matrix of IR-temperature readings is captured, displayed as a heatmap.</p>
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<p>Folders and files in the dataset.</p>
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<p>Table structure of the data in each HDF5-file. For one recording, the high frequency data consist of an array, and a single value is given for the environmental data. <span class="html-italic">infrared-array</span> and <span class="html-italic">light-color</span> have multiple values, each with a corresponding timestamp in the neighboring column.</p>
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<p>Participant IDs and total time of the recordings. ID 999 is used for <span class="html-italic">No activity</span>, where no participant was involved.</p>
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<p>Recording sequence of one activity set. The red arrows represent inputs by the observer.</p>
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<p>Front and side views and the internal circuit board of the multisensors used for recording the data. (<b>a</b>) Multisensor front view. (<b>b</b>) Multisensor side view. (<b>c</b>) Circuit board of a multisensor. ESP32 (A), microphone (B), accelerometer (C), infrared array (D), light color sensor (E), environmental sensor (F).</p>
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<p>Layout of the two rooms that composed the recording environment. The multisensor positions are marked with blue rectangles and a triangle pointing to the direction they are facing. The rotation of the sensors along the facing axis is also included.</p>
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<p>Audio and vibration before and after cross-correlation.</p>
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<p>Variation of audio data for each activity class using the standard deviation per entry.</p>
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<p>Variation of vibration data for each activity class. For each entry the standard deviation of the Euclidian norms was calculated.</p>
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<p>Variation of infrared array data for each activity class. For each entry, the standard deviation of the means was calculated.</p>
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<p>Variation of light color data for each activity class. For each entry, the standard deviation of the Euclidian norms was calculated.</p>
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<p>Temperature distribution for each activity class.</p>
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<p>Humidity distribution for each activity class.</p>
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<p>Pressure distribution for each activity class.</p>
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<p>Air quality index distribution for each activity class.</p>
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<p>VOC distribution for each activity class.</p>
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<p>CO<sub>2</sub> equivalent distribution for each activity class.</p>
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18 pages, 1426 KiB  
Article
Enhancing Brioche Bread with Emulsified Seed and Nut Oils: Nutritional and Sustainable Benefits
by Elena Martínez, María Esther Martínez-Navarro, José E. Pardo, Adrian Rabadan and Manuel Álvarez-Ortí
Appl. Sci. 2024, 14(23), 11382; https://doi.org/10.3390/app142311382 - 6 Dec 2024
Cited by 1 | Viewed by 653
Abstract
This study evaluates the effectiveness of an oil-in-water emulsion formulated from water and seed and nut oils as a substitute for butter in the formulation of brioche bread. First, the selected oils were physicochemically characterized. In the brioche, animal fat was fully and [...] Read more.
This study evaluates the effectiveness of an oil-in-water emulsion formulated from water and seed and nut oils as a substitute for butter in the formulation of brioche bread. First, the selected oils were physicochemically characterized. In the brioche, animal fat was fully and partially replaced, and the effects were analyzed at the physical, chemical, and sensory levels. The new formulations exhibited increased lightness, a softer crumb, improved cohesiveness, and greater expansion compared to the control, resulting in fluffier and lighter brioches. Nutritionally, the seed and nut oil brioches showed a lower fat content and lower energy value, but higher protein and carbohydrate levels. The lipid profile was enhanced, with a higher proportion of unsaturated fatty acids, which positively impacted two heart-friendly indices and increased the vitamin E content. This improvement potentially allows the food industry to apply health claims to product labeling. Regarding sensory analysis, in all cases, the reformulated brioches scored higher than the control sample in terms of external appearance, although there remained a preference for the flavor and aroma of the traditional version, which could be mitigated by adding flavor compounds such as diacetyl. This study differs from previous research by using a seed and nut oil emulsion instead of non-emulsified oils, improving the texture and stability of brioche bread, an achievement not consistently reported in prior studies. Additionally, it emphasizes sustainability by offering a plant-based alternative that addresses the growing consumer demand for vegan and eco-friendly products while providing enhanced nutritional benefits that support potential health claims. Full article
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<p>An external view of the reformulated brioches used for this study.</p>
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<p>The lightness (L*) of the doughs and brioche breads baked with the total and partial substitution of butter by vegetable oils. Significant differences between samples are indicated by different letters: the letters in the green columns refer to the dough, while the letters in the purple columns refer to the baked brioche. Different letters within each column indicate statistically significant differences (<span class="html-italic">p</span> &lt; 0.05).</p>
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<p>Parameters a* and b* analyzed in the doughs and cooked brioches formulated with vegetable oil emulsions. The a* parameter represents the green–red color axis, and the b* parameter represents the blue–yellow color axis.</p>
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<p>The results of the sensory evaluation of the samples of brioche bread reformulated with seeds and nuts.</p>
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20 pages, 3189 KiB  
Article
Bridging Nutritional and Environmental Sustainability Within Planetary Boundaries in Food Life Cycle Assessments: SWOT Review and Development of the Planet Health Conformity Index
by Toni Meier, Susann Schade, Frank Forner and Ulrike Eberle
Sustainability 2024, 16(23), 10658; https://doi.org/10.3390/su162310658 - 5 Dec 2024
Viewed by 927
Abstract
To promote sustainable food choices, it is essential to provide easily understandable information that integrates health, environmental impacts and planetary boundaries. For this purpose, the Planet Health Conformity Index (PHC) was developed and tested. Current labels, such as the Nutri-Score for health and [...] Read more.
To promote sustainable food choices, it is essential to provide easily understandable information that integrates health, environmental impacts and planetary boundaries. For this purpose, the Planet Health Conformity Index (PHC) was developed and tested. Current labels, such as the Nutri-Score for health and the Eco-Score for environmental impacts, provide separate information, which may result in consumers receiving conflicting messages. The PHC combines these dimensions into a single label, aligning with consumer demand for clearer guidance and fostering sustainable food consumption and development. Methods: The PHC assesses 18 nutrients and five environmental impacts—Global Warming Potential (GWP), cropland use, freshwater use, nitrogen application (N-min) and phosphorus application (P-min)—within the framework of planetary boundaries. Six different algorithm designs, varying in capping and weighting, were tested on 125 food products from the German market. The analysis compared mass-, energy- and multi-nutrient-based functional units. Results: Under mass- and energy-based units, many products meet planetary boundaries. However, incorporating nutrient profiles often leads to exceeding these boundaries (exceedance rate PHC: GWP: 38% of products transgressed the boundary, cropland use: 41%, freshwater use: 27%, N-min: 34%, P-min: 71%). Accordingly, the PHC contextualizes nutritional strengths and weaknesses environmentally. Moreover, it disaggregates the Planetary Health Diet (PHD) at the nutrient level, facilitating adaptation to individual nutritional needs. Conclusions: Traditional food Life Cycle Assessments should include nutrients in the functional unit and consider planetary boundaries to enable more accurate food comparisons. The PHC presented here takes these aspects into account. In addition, its dual-factor approach, integrating health and environmental metrics, ensures broad applicability. Thus, the PHC Index can be applied not only to single food items but also to recipes, dishes, menus and entire diets. Full article
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<p>Single PHC factors for CO<sub>2e</sub> (GWP) per nutrient for bananas from Ecuador (conventional production).</p>
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<p>Single PHC factors for selected plant-based foods in terms of GHG emissions, land use, blue water use, N-min application and P-min application.</p>
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<p>Single PHC factors for selected animal-based foods in terms of GHG emissions, land use, blue water use, N-min application and P-min application.</p>
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<p><b>GWP:</b> PHC Index (median capped, black dots) and kg CO<sub>2e</sub>/NRF9.3 (capped, orange dots) (for the other environmental indicators, see <a href="#app1-sustainability-16-10658" class="html-app">Supporting Information 1</a>). * For these products, the environmentally adjusted NRF9.3 (orange dots) is not calculable.</p>
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16 pages, 3636 KiB  
Article
Molecular Decoration and Unconventional Double Bond Migration in Irumamycin Biosynthesis
by Vera A. Alferova, Anna A. Baranova, Olga A. Belozerova, Evgeny L. Gulyak, Andrey A. Mikhaylov, Yaroslav V. Solovev, Mikhail Y. Zhitlov, Arseniy A. Sinichich, Anton P. Tyurin, Ekaterina A. Trusova, Alexey V. Beletsky, Andrey V. Mardanov, Nikolai V. Ravin, Olda A. Lapchinskaya, Vladimir A. Korshun, Alexander G. Gabibov and Stanislav S. Terekhov
Antibiotics 2024, 13(12), 1167; https://doi.org/10.3390/antibiotics13121167 - 3 Dec 2024
Viewed by 772
Abstract
Irumamycin (Iru) is a complex polyketide with pronounced antifungal activity produced by a type I polyketide (PKS) synthase. Iru features a unique hemiketal ring and an epoxide group, making its biosynthesis and the structural diversity of related compounds particularly intriguing. In this study, [...] Read more.
Irumamycin (Iru) is a complex polyketide with pronounced antifungal activity produced by a type I polyketide (PKS) synthase. Iru features a unique hemiketal ring and an epoxide group, making its biosynthesis and the structural diversity of related compounds particularly intriguing. In this study, we performed a detailed analysis of the iru biosynthetic gene cluster (BGC) to uncover the mechanisms underlying Iru formation. We examined the iru PKS, including the domain architecture of individual modules and the overall spatial structure of the PKS, and uncovered discrepancies in substrate specificity and iterative chain elongation. Two potential pathways for the formation of the hemiketal ring, involving either an olefin shift or electrocyclization, were proposed and assessed using 18O-labeling experiments and reaction activation energy calculations. Based on our findings, the hemiketal ring is likely formed by PKS-assisted double bond migration and TE domain-mediated cyclization. Furthermore, putative tailoring enzymes mediating epoxide formation specific to Iru were identified. The revealed Iru biosynthetic machinery provides insight into the complex enzymatic processes involved in Iru production, including macrocycle sculpting and decoration. These mechanistic details open new avenues for a targeted architecture of novel macrolide analogs through synthetic biology and biosynthetic engineering. Full article
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<p>Structures of some venturicidin-type compounds.</p>
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<p>Proposed scheme of Iru biosynthesis. (<b>A</b>) Comparison of <span class="html-italic">ven</span> [<a href="#B38-antibiotics-13-01167" class="html-bibr">38</a>] and <span class="html-italic">iru</span> (this work) BGCs. Homologous proteins are marked with colors with similarity (%) indicated on the labels. (<b>B</b>) The modular organization (module domains are highlighted with the same color code) of the <span class="html-italic">iru</span> PKS with the proposed scheme of backbone biosynthesis and tailoring steps.</p>
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<p>Front (<b>A</b>) and back (<b>B</b>) sides of the IruF/IruE complex. PKS domains in the AlphaFold3 model are colored green (KS), red (AT), yellow (KR), orange (DH), blue (T), and pink (TE). Domain numeric attributes indicate PKS modules. Arrows indicate the proposed pathway of the growing chain. Roman numerals indicate chain transfer steps.</p>
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<p>Comparison of the absolute configurations in the Iru backbone, derived from the KR domain types (blue) and previously established by NMR [<a href="#B28-antibiotics-13-01167" class="html-bibr">28</a>].</p>
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<p>Plausible mechanisms of hemiketal ring formation. Schematic representation of path 1 (<b>A</b>) cyclization through PKS-assisted double-bond shift and path 2 (<b>B</b>) through cycloaddition. The fragment of Iru backbone involved in hemiketal ring formation is highlighted with red. (<b>C</b>) Fragment of <span class="html-italic">iru</span> PKS DH domain alignment, presumably inactive domains are marked with asterisks. Key conserved motifs are highlighted with color.</p>
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<p>Free energy profiles for Path 1 (<b>A</b>) and Path 2 (<b>B</b>). Energy differences are given in kcal/mol.</p>
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<p>(<b>A</b>) MS/MS fragmentation pathway of <sup>18</sup>O-labeled Iru. Positive-mode mass spectrum of Iru from unlabeled media (<b>B</b>), H<sub>2</sub><sup>18</sup>O-enriched media (<b>C</b>). Positive-mode mass spectrum of a standard of Iru incubated in H<sub>2</sub><sup>18</sup>O for 24 h at pH 6.9 (<b>D</b>).</p>
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