bluuebunny/crossref_metadata_2025 huggingface dataset:
Research Progress and Outlook of Molecular Dynamics Simulation on Carbon Dioxide Applied for Methane Exploitation from Hydrates
Authors: Yu Qiannan , Li Chenglong , Peng Boyang , Tang Huimin , Yang Tao , Yu Yang , Zhang Kun , Chen Zhijing
Published: November 2024

Research progress of carbon dioxide applied for methane exploitation from hydrates is summarized, with a focus on advances in molecular dynamics simulations and their application in understanding the mechanism of carbon dioxide replacement for hydrate exploitation. The potential of carbon dioxide in enhancing energy recovery efficiency and promoting carbon capture and storage is emphasized. An overview is provided of the advancements made in utilizing carbon dioxide for methane hydrate exploitation, highlighting its significance. Subsequently, the theoretical foundations and techniques of molecular dynamics simulations are delved into, encompassing key elements such as statistical ensembles, molecular force fields, and numerical solution methods. Through simulations, various characterization parameters including mean square displacement, radial distribution functions, coordination numbers, angular order parameters, and hydrogen bonds are computed and analyzed, which are crucial for understanding the dynamic changes in hydrate structures and the replacement process. Thorough research and analysis have been conducted on the two possible and widely debated mechanisms involved in the replacement of methane hydrates by carbon dioxide, with a particular emphasis on guest molecular replacement and hydrate reconfiguration. These processes encompass the intricate interactions between carbon dioxide molecules and the cage-like structure of hydrates, as well as the rearrangement and stabilization of hydrate structures. Several key issues surrounding the application of carbon dioxide for methane hydrate exploitation are identified, including the influence of thermodynamic conditions, the selection of auxiliary gases, and other potential factors such as geological conditions and fluid properties. Addressing these issues is crucial for optimizing the extraction process and enhancing economic and environmental benefits. A theoretical foundation and technical reference for the application of carbon dioxide in methane hydrate exploitation are provided, while future research directions and priorities are also outlined.
A New Demand for Improved Selectivity and Potency of Cyanine Dyes as Antiproliferative Agents Against Colorectal Cancer Cells
Authors: Maia Ana , Ventura Cathy , Santos Adriana O. , Nunes Maria J. , Boto Renato E. F. , Sousa Ângela , Silvestre Samuel M. , Almeida Paulo , Serrano João L.
Published: November 2024

Cancer treatment remains a significant challenge, with chemotherapy still being one of the most common therapeutic approaches. Based on our initial studies of symmetric monomethine cyanine dyes, which showed potential against colorectal cancer, this study explored several asymmetric cyanines, aiming to develop more potent and selective antitumor agents, particularly against colorectal cancer. In pursuit of this goal, we have designed, synthesized, and structurally characterized twelve new cyanine dyes. Their antiproliferative effects were then investigated in vitro against both tumor and non-tumor cell lines. Notably, the two most promising dyes in terms of potency and selectivity against Caco-2 colorectal cancer cells were derived from the combination of N-methylbenzoxazole and N-methylquinoline (dye 5), as well as N-ethylbenzothiazole and N-ethyl-6-nitrobenzothiazole (dye 10). The potential mechanisms behind their antiproliferative action were also explored, revealing that both dyes penetrate cells and localize within the cytoplasm and nucleus. Furthermore, dye 5 was found to slightly induce apoptosis without causing significant cell cycle arrest, in contrast to dye 10, which increased the number of cells in the G0/G1 phase. Interestingly, both dyes exhibited marked topoisomerase II inhibitory effects, particularly cyanine 5, which may further explain their antiproliferative activity. Additionally, drug-likeness properties were predicted for both dyes. Overall, cyanine 5 emerged as the most promising candidate for further investigation as a potential treatment for colorectal cancer.
Controlled Release of Madecassoside and Asiaticoside of Centella asiatica L. Origin from Sustainable Cold-Processed Topical Formulations
Authors: Krzyżostan Monika , Wawrzyńczak Agata , Nowak Izabela
Published: November 2024

Centella asiatica L. extract is a promising natural agent for the treatment of atopic dermatitis. It significantly reduces inflammation due to its immunomodulatory properties, mainly attributed to the presence of pentacyclic triterpenes, namely madecassoside and asiaticoside. Their incorporation into sustainable cold-processed topical formulations, such as emollient-rich emulsions and cosmetic gel containing natural hydrophilic polymers, should inhibit inflammation in atopic skin. Therefore, the objective of this study is to investigate the controlled release of madecassoside and asiaticoside isolated from Centella asiatica L., loaded into topical formulations, namely emollient-rich O/W and W/O emulsions and cosmetic gel, which could support the treatment of atopic dermatitis. The carriers of active substances have been prepared with sustainable emulsifiers, active substances, and emollients obtained by green technologies from food industry wastes. Low-energy methods during the carrier emulsification process were applied to reduce carbon footprints and preserve the valuable properties of the raw materials used. The influence of the Centella asiatica L. extract on the physicochemical properties of the formulations was studied, showing a satisfactory degree of stability of the formulations obtained. Moreover, factors that may influence the mechanism and kinetics of the release of madecassoside and asiaticoside, such as the concentration of the active substance, the pH of the dissolution medium, and the type of the carrier, have been tested and widely discussed.
Stokes–Einstein Relation in Different Models of Water
Authors: Khrapak Sergey , Khrapak Alexey
Published: November 2024

The purpose of this paper is to discuss to which extent a microscopic version of the Stokes–Einstein (SE) relation without the hydrodynamic radius applies to liquid water. We demonstrate that the self-diffusion and shear viscosity data for five popular water models, recently reported by Ando [J. Chem. Phys. 159, 101102 (2023)], are in excellent agreement with the SE relation. The agreement with experimental results is also quite impressive. The limitations on the applicability of the SE relation are briefly discussed.
Nitrogen-Doped Weathered Coal for the Efficient Adsorption of Lead: Adsorption Performance and Mechanisms
Authors: Chen Xiaojing , Jin Xiaobing , Zhang Chi , Jiao Zile , Yang Zhiping , Wang Ke , Li Jianhua , Zhang Qiang
Published: November 2024

The development of widely sourced and efficient adsorbents is crucial for the adsorption of lead from wastewater. A novel adsorbent, N-doped weathered coal (NWC), was prepared in this study using weathered coal as the precursor and triethylenetetramine (TETA) as the N-source. The adsorption performance and behavior of Pb(II) on NWC were investigated using batch adsorption experiments. The results demonstrated that NWC has an efficient adsorption performance towards Pb(II), with a maximum monolayer adsorption capacity of 216.32 mg g−1 (25 °C). The adsorption process was spontaneous and endothermic, and the importance of chemisorption was observed. The adsorption mechanisms of NWC were also analyzed based on its physicochemical structure before and after the Pb(II) adsorption and desorption experiments. The N and O functional groups, acting as electron donors, promoted coordination with Pb(II), making complexation the dominant mechanism. Its contribution to the adsorption mechanism could reach 44.81%. NWC is a promising material for both wastewater treatment and the resource utilization of weathered coal.
Manganese Oxide Nanoparticles for MRI-Based Multimodal Imaging and Theranostics
Authors: Geraldes Carlos F. G. C.
Published: November 2024

Manganese-based MRI contrast agents have recently attracted much attention as an alternative to Gd-based compounds. Various nanostructures have been proposed for potential applications in in vivo diagnostics and theranostics. This review is focused on the discussion of different types of Mn oxide-based nanoparticles (MnxOy NPs) obtained at the +2, +3 and +4 oxidation states for MRI, multimodal imaging or theranostic applications. These NPs show favorable magnetic properties, good biocompatibility, and an improved toxicity profile relative to Gd(III)-based nanosystems, showing that the Mn paramagnetic ions offer advantages for the next generation of nanoscale MRI and theranostic contrast agents. Their potential for enhancing relaxivity and MRI contrast effects is illustrated through discussion of selected examples published in the past decade.
Pretreatment Cranial Computed Tomography Perfusion Predicts Dynamic Cerebral Autoregulation Changes in Acute Hemispheric Stroke Patients Having Undergone Recanalizing Therapy: A Retrospective Study
Authors: Lakatos Lehel-Barna , Bolognese Manuel , Österreich Mareike , Müller Martin , Karwacki Grzegorz Marek
Published: November 2024

Objectives: Blood pressure (BP) management is challenging in patients with acute ischemic supratentorial stroke undergoing recanalization therapy due to the lack of established guidelines. Assessing dynamic cerebral autoregulation (dCA) may address this need, as it is a bedside technique that evaluates the transfer function phase in the very low-frequency (VLF) range (0.02–0.07 Hz) between BP and cerebral blood flow velocity (CBFV) in the middle cerebral artery. This phase is a prognostically relevant parameter, with lower values associated with poorer outcomes. This study aimed to evaluate whether early cranial computed tomography perfusion (CTP) can predict this parameter. Methods: In this retrospective study, 165 consecutive patients with hemispheric strokes who underwent recanalizing therapy were included (median age: 73 years; interquartile range (IQR) 60–80; women: 43 (26%)). The cohort comprised 91 patients treated with intravenous thrombolysis (IV-lysis) alone (median National Institute of Health Stroke Scale (NIHSS) score: 5; IQR 3–7) and 74 patients treated with mechanical thrombectomy (median NIHSS: 15; IQR 9–18). Regression analysis was performed to assess the relationship between pretreatment CTP-derived ischemic penumbra and core stroke volumes and the dCA VLF phase, as well as CBFV assessed within the first 72 h post-stroke event. Results: Pretreatment penumbra volume was a significant predictor of the VLF phase (adjusted r2 = 0.040; β = −0.001, 95% confidence interval (CI): −0.0018 to −0.0002, p = 0.02). Core infarct volume was a stronger predictor of CBFV (adjusted r2 = 0.082; β = 0.205, 95% CI: 0.0968–0.3198; p = 0.0003) compared to penumbra volume (p = 0.01). Additionally, in the low-frequency range (0.07–0.20 Hz), CBFV and BP were inversely related to the gain, an index of vascular tone. Conclusion: CTP metrics appear to correlate with the outcome-relevant VLF phase and reactive hyperemic CBFV, which interact with BP to influence vascular tone and gain. These aspects of dCA could potentially guide BP management in patients with acute stroke undergoing recanalization therapy. However, further validation is required.
Hour of Life at Enteral Feeding Initiation and Associated Clinical Morbidity in Extremely Low-Birth-Weight Infants
Authors: Thoene Melissa , Ridgway Lauren , Lyden Elizabeth , Anderson-Berry Ann
Published: November 2024

Background/Objectives: Identifying nutritional interventions in extremely low-birth-weight (ELBW) infants (<1000 g) that are associated with favorable clinical outcomes is important. Delayed enteral feeding initiation (>3 days) has been associated with increased odds of developing morbidity. Therefore, the aim of this study is to evaluate the relationship between hour of life at enteral feeding initiation and associated clinical outcomes. Methods: An IRB-approved retrospective chart review evaluated ELBW infants. Birth acuity was evaluated using CRIB II scoring and incidence of various morbidities (bronchopulmonary dysplasia (BPD), retinopathy of prematurity (ROP), necrotizing enterocolitis (NEC), and spontaneous intestinal perforation (SIP)) and mortality was assessed after adjustment. p < 0.05 was statistically significant. Results: A total of 27/61 (44.3%) initiated enteral feeding <12 h of life. CRIB II scores were lower in infants with earlier enteral feeding initiation. There were no statistical differences in NEC, SIP, or death between categories of hour of life at enteral feeding initiation. After adjusting for CRIB II scores, enteral feeding initiation ≥12 h of life was associated with more days receiving oxygen >21% inspired air (β = 32.7; p = 0.040), approximately 7-fold higher odds of developing moderate/severe BPD (95% CI 1.2.8–38.28; p = 0.025), and 9-fold higher odds of being discharged home while receiving oxygen therapy (95% CI 1.03–79.81; p = 0.047). Conclusions: Timing of enteral feeding initiation may be delayed in ELBW infants with higher clinical acuity, yet later initiation by hour of life is associated with worsened clinical respiratory outcomes. Early initiation within the first 12 h of life is feasible and was not associated with gastrointestinal morbidity in this single-center cohort of ELBW infants.
Food Security in the Rural Mapuche Elderly: Analysis and Proposals
Authors: Hernández-Moreno Angélica , Vásquez-Palma Olga , Castillo-Cárdenas Leonardo , Erices-Reyes Juan , Guzmán-Jiménez Alexsa , Domínguez-Scheid Carlos , Girona-Gamarra María , Cáceres-Senn Marco , Hochstetter-Diez Jorge
Published: November 2024

Background: The increase in population longevity often occurs in contexts of inequity and relative poverty, accompanied by economic deterioration. This becomes a social determinant that has a direct impact on food security. This phenomenon particularly affects certain groups and territories, although there is still a lack of disaggregated references. Intersections between factors such as being a rural inhabitant, Indigenous, woman, or elderly person are observed in relation to food security, which forces us to pay greater attention to gaps that have remained invisible for years. Objective: The objective of this study is to analyze the main factors that affect the food security of Mapuche men and women over 60 years of age living in the rural area of Temuco, Chile. Method: Qualitative, descriptive, and interpretative research was carried out, observing the process from the interpretative symbolic paradigm and the complexity approach. Results: The data are made up of the discourses of these subjects, whose analysis allowed for the identification of results. These results show that producing their own food enables rural Mapuche elders to achieve food security. The cultural food heritage preserved by Mapuche elders, especially women, acts as a facilitating factor, as do community spaces that reinforce their culture. Among the obstacles to food security are migration to the city for work, pathological aging, and the limited production of culturally healthy foods (affected by environmental problems, cultural changes, the destabilization of group identity, and public policies that are incongruent with the territorial worldview). Conclusions: While rural Mapuche elders retain valuable practices for their food security, inadequate policies, migration and environmental degradation present significant challenges.
Nutrition Knowledge and Food Literacy Among Persons with Multiple Sclerosis—Development and Validation of Patient-Reported Outcome Measures
Authors: Riemann-Lorenz Karin , Seddiq Zai Susan , Daubmann Anne , Pöttgen Jana , Heesen Christoph
Published: November 2024

Background/Objectives: Persons with MS (pwMSs) are often confronted with contradictory dietary advice, which is not always based on sound scientific evidence. This may lead to poor MS-specific nutrition knowledge (MSNK) and food literacy (MSFL). To date, no studies have assessed MSNK and MSFL among pwMSs. Moreover, no validated tools to measure the effects of educational interventions are available. The aim of this study was to develop and validate MS-specific instruments to measure MSNK and MSFL among pwMSs. Methods: Based on a validated food literacy (FL) screener for the general population and prior research about the information needs of pwMSs, we developed 14 MSFL items and 11 MS-specific nutrition knowledge questions. Cognitive debriefing was conducted with 10 pwMSs and resulted in a 12-item MS food literacy questionnaire (MSFLQ) and an 11-item MS nutrition knowledge questionnaire (MSNKQ). After refinement, both questionnaires were pilot tested in an online survey to explore their comprehensibility. The MSNKQ was analyzed descriptively (mean and percentage of correctly answered questions). For MSFLQ item difficulty, the discriminatory power of the items, internal consistency and convergent/divergent validity were assessed. Results: In total, 148 pwMSs (age: 47.1 years (SD = 12.5); 102 women (69%)) completed the online survey. On average, participants answered 3.51/11 MSNK questions correctly (31.9%). The MSFLQ showed good internal consistency (Cronbach’s alpha = 0.85), item difficulty was good and the discriminatory power of the items was satisfactory. Correlations between the MSFLQ and a general food literacy questionnaire was high (r = 0.626, p < 0.001), but only small with the MSNKQ (r = 0.180; p = 0.029), underlining the different constructs. Conclusions: MSNK among pwMSs in Germany is low. The MSNKQ and MSFLQ appear to be suitable instruments to assess MSNK and MSFL and might serve as outcome measures for educational interventions.
Exploring the Causal Effects of Physical Activity, Sedentary Behaviour, and Diet on Atrial Fibrillation and Heart Failure: A Multivariable Mendelian Randomisation Analysis
Authors: Zhang Yunong , Tao Ye , Choi Hyunsoo , Qian Haonan
Published: November 2024

Aims: This study aimed to investigate the causal effects of physical activity, sedentary behaviour, and diet on atrial fibrillation (AF) and heart failure (HF) using multivariate Mendelian randomization (MR) analysis and genetic variants as instrumental variables. Methods: The study employed multivariate MR analysis with physical activity, sedentary behaviour, and diet as exposures and AF and HF as outcomes. Data were obtained from the UK Biobank (over 500,000 participants) and the FinnGen project (218,792 participants of European ancestry). Genetic variants associated with physical activity, diet, and sedentary behaviour were used as instrumental variables. The main analysis methods included the inverse variance weighted (IVW) method, MR-Egger, and weighted median methods. Heterogeneity was assessed using Cochran’s Q test. Results: The analyses generally did not demonstrate significant causal relationships between physical activity or sedentary behaviour and AF. Diet showed a potential protective effect on AF in some analyses but was not consistently significant across methods. For HF, physical activity and sedentary behaviour did not show significant causal relationships. Diet showed a significant protective effect against HF in the IVW method but was not consistent across all methods. Conclusions: This study suggests that while there may be some protective effects of these lifestyle factors on cardiovascular disease, most analyses did not show significant causality, and results were inconsistent. Further research is needed to validate these findings.
CRISPR/Cas9 Technology Providing the Therapeutic Landscape of Metastatic Prostate Cancer
Authors: Park Jieun , Kim Jaehong
Published: November 2024

Prostate cancer (PCa) is the most prevalent malignancy and the second leading cause of cancer-related death in men. Although current therapies can effectively manage the primary tumor, most patients with late-stage disease manifest with metastasis in different organs. From surgery to treatment intensification (TI), several combinations of therapies are administered to improve the prognosis of patients with metastatic PCa. Due to the high frequency of the mutation during the metastatic phase, the clustered regularly interspaced short palindromic repeats (CRISPR)/CRISPR-associated nuclease 9 (Cas9) genetic engineering tool can accelerate the effects of TI by enhancing targeted gene therapy or immunotherapy. This review describes the genetic background of metastatic PCa and how CRISPR/Cas9 technology can contribute to the field of PCa treatment development. It also discusses the current limitations of conventional PCa therapy and the potential of CRISPR-based PCa therapy.
Correction: Chen et al. The Protective Effect of Mangiferin on Formaldehyde-Induced HT22 Cell Damage and Cognitive Impairment. Pharmaceutics 2023, 15, 1568
Authors: Chen Fan , Wang Na , Tian Xinyan , Su Juan , Qin Yan , He Rongqiao , He Xiaping
Published: November 2024

In the original publication [...]
Detection Capability Analysis of Field of View-Gated Optical Imaging System for All-Time Star Sensor
Authors: Fang Liang , Zhang Hui , Cheng Xin , Fan Zhenjie , Liao Zhiyuan , Zhang Qiang , Zhao Rujin
Published: November 2024

The field of view (FOV)-gated optical imaging system can relieve the contradiction between a wide FOV and the effective suppression of sky background radiation, making it particularly suitable for all-time star sensors. The detection capability of this novel optical imaging system during daytime differs significantly from that of traditional optical systems. This paper presents the principle of suppressing sky background radiation through FOV-gated imaging. Subsequently, the detection capabilities, including detectable limiting stellar magnitude and the probability of detecting at least three stars, are analyzed for applications on airborne platforms operating at altitudes of no less than 3km. Based on the analysis results, an FOV-gated imaging system operating in the shortwave infrared wavelength band was designed. Additionally, stray light analysis software, ASAP, was employed to simulate the illumination of stellar signals and sky background radiation on the detector. The evaluation of the detection capability of the designed FOV-gated optical system, based on simulation data, aligns with the theoretical analysis value. It demonstrates the system’s ability to detect multiple stars with a high probability during the daytime, thereby providing a theoretical foundation for the practical application of the FOV-gated optical imaging system on airborne platforms.
Impact Resistance of Aluminum Foam Composites with Filler and Coating Materials
Authors: Wu Yue , Guo Yulin , Yi Songwen , Lv Zhuwen , Fan Zhiqiang
Published: November 2024

The main objective of this study is to analyze the impact resistance of aluminum foam composites containing fillers and coatings and to investigate the effect of different thickness ratios of the composites on this capability. We prepared composites using aluminum foam and polyurea and performed impact tests and numerical simulations. A comparison of the results shows that the Abaqus simulation results are in general agreement with the test results. The results show that the polyurea filler material and polyurea coating can significantly improve the impact resistance of the aluminum foam, and the best impact resistance of the aluminum foam composite with polyurea coating on the back. An extended study of the composites was carried out using a numerical model validated by the test results. For the energy absorption effect of the aluminum foam composites in the impact resistance process, there is an optimum value for the thickness ratio of the aluminum foam/polyurea composite, which is 3:1. The remaining kinetic energy of cylindrical fragments in the 3-1-1-2 composite material decreased by 13.26%, in the 4-1-1-2 composite material decreased by 11.91%, in the 2-1-1-2 composite material decreased by 11.78%, and in the 1-1-1-2 composite material increased by 2.7% when compared to the remaining kinetic energy of cylindrical fragments in the control group. The energy absorption efficiency of the aluminum foam composite increases as the residual kinetic energy of the cylindrical fragments decreases. The 3-1-1-2 composite can significantly improve the energy absorption effect, which can be used as a reference for the design of impact-resistant composites in the future.
Tailoring Optical Performance of Polyvinyl Alcohol/Crystal Violet Band-Pass Filters via Solvent Features
Authors: Albu Raluca Marinica , Stoica Iuliana , Nica Simona Luminita , Soroceanu Marius , Barzic Andreea Irina
Published: November 2024

Optical filters are essential components for a variety of applicative fields, such as communications, chemical analysis and optical signal processing. This article describes the preparation and characterization of a new optical filter made of polyvinyl alcohol and incremental amounts of crystal violet. By using distinct solvents (H2O, dimethyl sulfoxide (DMSO) and H2O2) to obtain the dyed polymer films, new insights were gained into the pathway that underlies the possibility of tailoring the material’s optical performance. The effect of the dye content on the sample’s main properties was inspected via UV–VIS spectroscopy analysis combined with colorimetry, refractometry and atomic force microscopy experiments. The results revealed that the colorimetric parameters are affected by the dye amount and are dramatically changed when the solvent used for film preparation is different. The rise in the refractive index upon polymer dyeing was due to the synergistic effect of the larger polarizability of the dye and the occurrence of hydrogen bonds among the system components. Spectral data evidenced that samples prepared in H2O and DMSO preserve the absorption characteristics of the added dye, whereas H2O2 acts as an oxidizing agent and enhances transparency. Also, for the first two solvents, multiple absorption edges were noted as a result of dye incorporation, which was responsible for the occurrence of new exciton-like states, hence the band gap reduction. The films processed in H2O were able to block radiations in the 506–633 nm range while allowing other wavelengths to pass with a transmittance above 90%. The samples attained in DMSO presented similar properties, with the difference that the domain of light attenuation was shifted towards higher wavelengths. Atomic force microscopy showed the dye’s effect on the level of surface roughness uniformity and morphology isotropy. The dyed polymer foils in non-oxidizing agents have suitable features for use as band-pass filters.
Preparation of Thermal Conductivity-Enhanced, Microencapsulated Phase Change Materials Using Cellulose-Assisted Graphene Dispersion for Thermal Regulation in Textiles
Authors: Meng Fanfan , Li Xiaopeng , Zhang Min , Zhao Yue , Li Zenghe , Zhang Shouxin , Li Heguo
Published: November 2024

To improve the poor thermal conductivity of microencapsulated phase change materials (MPCMs), a strategy was designed with effective combinations between graphene nanosheets (GNs) and shells to prepare thermally conductive MPCMs–GNs by using cellulose nanofibers (CNFs) to assist GN dispersion. The experiments and theoretical calculations both illustrated that CNFs effectively prevented GNs from aggregating due to the strong Van der Walls interactions between CNFs and GNs. The morphologies and structures of MPCMs with and without GNs were characterized by SEM, FTIR and XRD. The thermal properties of MPCMs were evaluated by DSC, TG, and a thermal conductivity test. The MPCMs with 10 wt.% GNs exhibited a melting enthalpy as high as 187.2 J/g and a thermal conductivity as high as 1.214 (W/m⋅K). The results indicate that the prepared MPCMs possessed a good thermal stability. In addition, MPCMs–GNs exhibited outstanding mechanical properties using a nano-indentation test. With an excellent melting enthalpy and thermal conductivity, the prepared MPCMs–GNs/textile showed a potential ability to be used for comfort thermal regulation.
Surface Modification of Gold Nanorods (GNRDs) Using Double Thermo-Responsive Block Copolymers: Evaluation of Self-Assembly and Stability of Nanohybrids
Authors: Márquez-Castro Jesús E. , Licea-Claverie Angel , Guerrero-Sánchez Carlos , Méndez Eugenio R.
Published: November 2024

A series of copolymers containing a thermo-responsive biocompatible first block of poly[di(ethylene glycol) methyl ether methacrylate)-co-(oligo(ethylene glycol) methyl ether methacrylate], P(DEGMA-co-OEGMA) were chain-extended to incorporate either poly(N-isopropylacrylamide), PNIPAAm or poly(N-isopropylacrylamide-co-butyl acrylate), P(NIPAAm-co-BA) as second thermo-responsive block using reversible addition–fragmentation chain transfer (RAFT) polymerization. P(DEGMA-co-OEGMA)-b-PNIPAAm copolymers showed two response temperatures at 33 and 43 °C in an aqueous solution forming stable aggregates at 37 °C. In contrast, P(DEGMA-co-OEGMA)-b-P(NIPAAm-co-BA) copolymers showed aggregation below room temperature due to the shift in response temperature provoked by the presence of hydrophobic butyl acrylate (BA) units, and shrinkage upon heating up to body temperature, while maintaining the second response temperature above 40 °C. The terminal trithiocarbonate group of the block copolymers was modified to a thiol functionality and used to stabilize gold nanorods (GNRDs) via the “grafting to” approach. The Localized Surface Plasmon Resonance (LSPR) absorption band of GNRDs with an aspect ratio of 3.9 (length/diameter) was located at 820 nm after surface grafting with block copolymers showing a hydrodynamic diameter of 160 nm at 37 °C. On the other hand, the stability of the P(DEGMA-co-OEGMA)-b-PNIPAAm@GNRDs and P(DEGMA-co-OEGMA)-b-P(NIPAAm-co-BA)@GNRDs nanohybrids was monitored for 8 days; where the LSPR absorption band did not shift or show any broadening. Aqueous dispersed nanohybrids were irradiated with a near-infrared laser (300 mW), where the temperature of the surroundings increased 16 °C after 16 min, where conditions for no precipitation were determined. These tailored temperature-responsive nanohybrids represent interesting candidates to develop drug nanocarriers for photo-thermal therapies.
Synthesis and Thiol-Ene Photopolymerization of Bio-Based Hybrid Aromatic–Aliphatic Monomers Derived from Limonene, Cysteamine and Hydroxycinnamic Acid Derivatives
Authors: Acosta Ortiz Ricardo , Robles Olivares Jorge Luis , Yañez Macias Roberto
Published: November 2024

Three novel bio-based monomers were synthesized through an amidation reaction involving allylated derivatives of coumaric, ferulic and phloretic acid and a diamine obtained from a thiol-ene coupling reaction between limonene and cysteamine. The monomers containing the enone bond of the cinnamic moiety underwent photoisomerization and photocycloaddition reactions upon UV light irradiation. All three monomers were photocured via thiol-ene photopolymerization using a glycerol-derived trifunctional thiol, resulting in fully bio-based poly(amide–thioether)s. The polymers derived from monomers that contain the enone bond exhibited glass transition (Tg) temperatures of 85 °C when a stoichiometric ratio of the thiol was used, whereas polymers in which an excess of thiol was used exhibited Tg temperatures of 61 and 74 °C. The higher Tg of the synthesized polymers, compared with other reported polymers produced from thiol-ene photopolymerizations, was attributed to the combination of the aromatic rings of the cinnamic moiety and the cycloaliphatic ring of limonene, as well as the presence of the amide groups in the polymer, which can induce hydrogen bonding. The development of high Tg polymers from bio-based monomers through thiol-ene photopolymerization represents a significant advancement in the polymer synthesis sector, offering an improved performance and sustainability.
Photogrammetry—The Science of Precise Measurements from Images: A Themed Issue in Honour of Professor Emeritus Armin Grün in Anticipation of His 80th Birthday
Authors: Qin Rongjun , Akca Devrim , Remondino Fabio
Published: November 2024

Photogrammetry has been a cornerstone in mapping history and still functions as one of the key techniques in modern geospatial science and engineering [...]
Decoupling the Impacts of Climate Change and Human Activities on Terrestrial Vegetation Carbon Sink
Authors: Dong Shuheng , Ren Wanxia , Dong Xiaobin , Lei Fan , Wang Xue-Chao , Xie Linglin , Zhou Xiafei
Published: November 2024

Net ecosystem productivity (NEP) plays a vital role in quantifying the carbon exchange between the atmosphere and terrestrial ecosystems. Understanding the effects of dominant driving forces and their respective contribution rates on NEP can aid in the effective management of terrestrial carbon sinks, especially in rapidly urbanizing coastal areas where climate change (CC) and human activities (HA) occur frequently. Combining MODIS NPP products and meteorological data from 2000 to 2020, this paper established a Modis NPP-Soil heterotrophic respiration (Rh) model to estimate the magnitude of NEP in China’s coastal zone (CCZ). Hotspot analysis, variation trend, partial correlation, and residual analysis were applied to explore the spatiotemporal patterns of NEP and the contributions of CC and HA to the dynamics of NEP. We also explored the changes in NEP in different land use types. It was found that there is a clear north–south difference in the spatial pattern of NEP in CCZ, with Zhejiang Province serving as the main watershed for this difference. In addition, NEP in most regions showed an improvement trend, especially in the Beijing–Tianjin–Hebei region and Shandong Province, but the pixel values of NEP here were generally not as high as that in most southern provinces. According to the types of driving forces, the improvement of NEP in these regions primarily results from the synergistic effects of CC and HA. NEP changes in provinces south of Zhejiang are mainly dominated by single-factor-driven degradation. The area where HA contributes to the increase in NEP is much larger than that of CC. From the perspective of land use types, forests and farmland are the dominant contributors to the magnitude of NEP in CCZ.
First Investigation of Long-Term Methane Emissions from Wastewater Treatment Using Satellite Remote Sensing
Authors: Mehrdad Seyed Mostafa , Zhang Bo , Guo Wenqi , Du Shan , Du Ke
Published: November 2024

Wastewater treatment (WWT) contributes 2–9% of global greenhouse gas (GHG) emissions. The noticeable uncertainty in emissions estimation is due in large part to the lack of measurement data. Several methods have recently been developed for monitoring fugitive GHG emissions from WWT. However, limited by the short duration of the monitoring, only “snapshot” data can be obtained, necessitating extrapolation of the limited data for estimating annual emissions. Extrapolation introduces substantial errors, as it fails to account for the spatial and temporal variations of fugitive emissions. This research evaluated the feasibility of studying the long-term CH4 emissions from WWT by analyzing high spatial resolution Sentinel-2 data. Satellite images of a WWT plant in Calgary, Canada, taken between 2019 and 2023, were processed to retrieve CH4 column concentration distributions. Digital image processing techniques were developed and used for extracting the time- and space-varying features of CH4 emissions, which revealed daily, monthly, seasonal, and annual variations. Emission hotspots were also identified and corroborated with ground-based measurements. Despite limitations due to atmospheric scattering, cloud cover, and sensor resolution, which affect precise ground-level concentration assessments, the findings reveal the dynamic nature of fugitive GHG emissions from WWT, indicating the need for continuous monitoring. The results also show the potential of utilizing satellite images for cost-effectively evaluating fugitive CH4 emissions.
Low-Cost and Affordable Thermistor-Based Wideband Sub-THz Detector with Dielectric Waveguide Coupling
Authors: Zagrajek Przemysław , Wojciechowski Marcin , Komorowski Paweł , Hovorova Kateryna , Maciejewski Marcin
Published: November 2024

Bolometric detection of electromagnetic radiation is a well-established method in a wide frequency range, from millimeter waves through the terahertz region up to infrared. Fabrication of such a detector is often an expensive and demanding process. We propose a simple device based on a commercially available thermistor as a sensing element. To direct radiation to the sensor, we designed and fabricated a 3D-printed optical element integrated with the dielectric waveguide. An electronic setup was prepared to measure the sensor response. The described device is an affordable detector with acceptable detection parameters such as SNR or responsivity at a hundreds of volts per watt level.
Calibrated Adaptive Teacher for Domain-Adaptive Intelligent Fault Diagnosis
Authors: Forest Florent , Fink Olga
Published: November 2024

Intelligent fault diagnosis (IFD) based on deep learning can achieve high accuracy from raw condition monitoring signals. However, models usually perform well on the training distribution only, and experience severe performance drops when applied to a different distribution. This is also observed in fault diagnosis, where assets are often operated in working conditions different from the ones in which the labeled data have been collected. The scenario where labeled data are available in a source domain and only unlabeled data are available in a target domain has been addressed recently by unsupervised domain adaptation (UDA) approaches for IFD. Recent methods have relied on self-training with confident pseudo-labels for the unlabeled target samples. However, the confidence-based selection of pseudo-labels is hindered by poorly calibrated uncertainty estimates in the target domain, primarily due to over-confident predictions, which limits the quality of pseudo-labels and leads to error accumulation. In this paper, we propose a novel method called Calibrated Adaptive Teacher (CAT), where we propose to calibrate the predictions of the teacher network on target samples throughout the self-training process, leveraging post hoc calibration techniques. We evaluate CAT on domain-adaptive IFD and perform extensive experiments on the Paderborn University (PU) benchmark for fault diagnosis of rolling bearings under varying operating conditions, using both time- and frequency-domain inputs. We compare four different calibration techniques within our framework, where temperature scaling is both the most effective and lightweight one. The resulting method—CAT+TempScaling—achieves state-of-the-art performance on most transfer tasks, with on average 7.5% higher accuracy and 4 times lower calibration error compared to domain-adversarial neural networks (DANNs) across the twelve PU transfer tasks.
Optimizing Dielectric Rod Antenna Performance with Spoof Surface Plasmon Polariton-Based Feeding Method
Authors: Chaparala Rishitej , Imamvali Shaik , Tupakula Sreenivasulu , Aljaidi Mohammad , Bansal Shonak , Prakash Krishna , Alkoradees Ali Fayez
Published: November 2024

This study investigates the use of spoof surface plasmon polaritons (SSPPs) as an effective feeding mechanism for antennas functioning within the extremely high-frequency (EHF) range. A novel method is proposed for feeding a dielectric rod antenna with SSPPs, featuring a simple design made from FR-4 material with a relative permittivity of 4.3. In contrast to traditional tapered dielectric rod antennas and their feeding configurations, this design shows promise for achieving a gain of up to 16.85 dBi with an antenna length of 7.6 λ0. By carefully optimizing the design, impedance matching and directional radiation characteristics were obtained at 7.3 GHz. Simulations were conducted using CST Microwave Studio to validate and evaluate the design’s performance. The enhanced gain, improved impedance bandwidth, and use of cost-effective materials such as FR-4 present a compelling case for adopting this design in future wireless communication technologies. Additionally, the remote sensing properties of the feeder can be utilized for concealed object detection, material characterization, and the analysis of the spectral properties of materials.
Multi-Scenario Simulation of the Production-Living-Ecological Spaces in Sichuan Province Based on the PLUS Model and Assessment of Its Ecological and Environmental Effects
Authors: Fu Yu , Li Qian , Li Julin , Zeng Kun , Wang Liangsong , Wang Youhan
Published: November 2024

Research investigates the transformations in production–living–ecological spaces (PLES) across diverse scenarios and their ecological effects, with the aim of offering advice for environmental preservation and long-term growth in Sichuan Province. Utilizing the PLUS model, we simulated the PLES configuration in Sichuan Province for the year 2030 and subsequently evaluated its ecological impacts using an ecological effect assessment model. The findings reveal that: (1) population and GDP are key drivers of the expansion of Industrial-Production Spaces (IMPS), Urban-Living Spaces (ULS), and Rural-Living Spaces (RLS), whereas altitude has a crucial influence on shaping the expansion of Agricultural-Production Spaces (APS), Forest-Ecological Spaces (FES), Grassland-Ecological Spaces (GES), Water-Ecological Spaces (WES), and Other-Ecological Spaces (OES); (2) significant changes in PLES are observed in Sichuan Province by 2030 across four scenarios, with notable distinctions between the production priority scenario and the other three; (3) variations in ecological quality exist among the four scenarios concerning PLES; (4) the reasons behind better or worse ecological conditions differ across scenarios. The research demonstrates that the PLUS model can effectively simulate PLES in Sichuan Province under multiple scenarios for 2030, offering various potential development pathways and their corresponding ecological effects, thereby aiding in the selection of optimal development pathways.
Sustainability of Aqua Feeds in Africa: A Narrative Review
Authors: Ndebele-Murisa Mzime , Mubaya Chipo Plaxedes , Dekesa Chipo Hazel , Samundengo Angela , Kapute Fanuel , Yossa Rodrigue
Published: November 2024

In recent decades, the aquaculture industry has seen exponential growth worldwide, surpassing other food production sectors. This review aims to explore the dynamics of aqua feed production, particularly the shift from conventional to local feed production in Africa, driven by cost-effectiveness and the availability of raw materials. This review examines various scientific publications on aqua feed, focusing on both conventional and novel feed formulations and their impact on both small-scale and large-scale aquaculture. Commonly used aqua feed ingredients among African farmers include cassava, maize gluten, groundnut oilcake, sunflower oilcake, soybean meal, kale, peas, garlic, shrimp wastes, and waste blood. Novel ingredients such as insect-based diets, micro-algae, and fish discard formulations are also explored. Aqua feed composition impacts aqua waste, water quality, algae, oxygen demand, fish mortality, and eutrophication, and findings from literature reiterate the need to reorient feed formulation methods and ingredients to achieve a circular economy in Africa. This will entail promoting increased fish production at minimal costs and creating employment while supporting climate adaptation and mitigation efforts. Ultimately, the aqua feed sector has the potential to grow sustainably through the adoption of feed alternatives that prioritize sustainable production and encourage beneficiation studies.
Fostering Conceptual Understanding of Photocatalysis for Sustainable Development: A Social Constructivism Flipped-Classroom Model
Authors: Sarwar Muhammad Naeem , Maqbool Muhammad Adnan , Ullah Shamim , Rana Amarah Sultan , Khan Salah Uddin , Ibrahim Ahmed Ahmed , Alam Kamran , Zafar Sehrish , Ullah Zaka , Nazar Muhammad Faizan
Published: November 2024

Social constructivism theory embraces peer-to-peer communication that helps students understand, examine, and discern the process of knowledge construction. The Social Constructivism Flipped-Classroom Model (SCFCM) inverts the traditional classroom paradigm by providing content outside of class, often through online materials, and devoting in-class time to active learning and discussion. This study aims to investigate the impact of the SCFCM on the conceptual understanding of photocatalysis, a crucial process in environmental science and chemistry, particularly in relation to sustainability and sustainable development. Photocatalysis, being a self-sustained process, holds potential for addressing global challenges such as renewable energy and pollution reduction, both of which are central to achieving sustainable development goals. A quasi-experimental pre-test–post-test design was employed at a public sector university, involving forty-three (43) students in each of the flipped- and non-flipped-classroom groups. Assessment tools, including pre- and post-tests and an interest survey, were used to gauge students’ conceptual understanding of photocatalysis and their degree of learning interest. The same chemistry teacher, one who had eight years of teaching experience, taught both groups. The analysis of covariance (ANCOVA) results comparing students’ performance showed a significant difference in the performance of students in the experimental group compared to the control group. The multivariate analysis of variance (MANOVA) results, however, revealed substantial differences in attention, relevance, confidence, and satisfaction between the experimental and control groups. The findings highlight that the SCFCM improved students’ understanding of complex photocatalysis concepts and demonstrated its relevance to sustainable development, offering valuable insights into the potential of this teaching approach for Science, Technology, Engineering, Mathematics (STEM) education, especially in addressing sustainability challenges.
Assessment of CO2 Emissions for Light-Duty Vehicles Using Dynamic Perturbation Additive Regression Trees
Authors: Vu Hang Thi Thanh , Ko Jeonghan
Published: November 2024

Effective predictive modeling is crucial for assessing and mitigating energy consumption and CO2 emissions in light-duty vehicles (LDVs) throughout the whole value chain of an organization. This study enhances the modeling of LDV CO2 emissions by developing novel approaches to analyzing vehicle feature datasets. New tree-based machine learning models are developed to increase the accuracy and interpretability in modeling the CO2 emissions in LDVs. In particular, this study develops a new algorithm called dynamic perturbation additive regression trees (DPART). This new algorithm integrates dynamic perturbation within an iterative boosting framework. DPART progressively adjusts prediction values and explores various tree structures to improve predictive performance with reduced computation time. The effectiveness of the new ensemble-tree-based models is compared to that of other models for the vehicle emission data. The results demonstrate the new models’ capability to significantly improve predicting accuracy and reliability compared to other models. The new models also enable identifying key vehicle features affecting emissions, and thus provide valuable insights into the complex relationships among vehicle features in the dataset.