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Introducing a magnetic-field gradient into an electrically driven chemical reaction is expected to give rise to intriguing research possibilities. In this work, we elaborate on the modes and mechanisms of electrocatalytic activity (from the perspective of alignment of magnetic moments) and selectivity (at the molecular level) for the CO2 reduction reaction in response to external magnetic fields. We establish a positive correlation between magnetic field strengths and apparent current densities. This correlation can be rationalized by the formation of longer-range ordering of magnetic moments and the resulting decrease in the scattering of conduction electrons and charge-transfer resistances as the field strength increases. Furthermore, aided by the magnetic-field-equipped operando infrared spectroscopy, we find that applied magnetic fields are capable of weakening the C–O bond strength of the key intermediate ∗COOH and elongating the C–O bond length, thereby increasing the faradaic efficiency for the electroreduction of CO2 to CO.

Colorectal cancer (CRC) ranks as the third leading cause of cancer-related deaths globally. It is characterized as a genomic disorder marked by diverse genomic anomalies, including point mutations, genomic rearrangements, gene fusions, and alterations in chromosomal copy numbers. This research aims to identify previously undisclosed genetic variants associated with an increased risk of CRC by employing next-generation sequencing technology. Genomic DNA was extracted from blood specimens of five CRC patients. The sequencing data of the samples are utilized for variant identification. In addition, the Integrative Genomic Viewer software (IGV) is used to visualize the identified variants. Furthermore, various in silico tools, including Mutation Taster and Align GVGD, are used to predict the potential impact of mutations on structural features and protein function. Based on the findings of this research, 12 different genetic variations are detected among individuals with CRC. Inherited variations are located within the following genes: MSH6, MSH2, PTPRJ, PMS2, TP53, BRAF, APC, and PIK3CA. [ABSTRACT FROM AUTHOR]

Colorectal cancer (CRC) ranks as the third leading cause of cancer-related deaths globally. It is characterized as a genomic disorder marked by diverse genomic anomalies, including point mutations, genomic rearrangements, gene fusions, and alterations in chromosomal copy numbers. This research aims to identify previously undisclosed genetic variants associated with an increased risk of CRC by employing next-generation sequencing technology. Genomic DNA was extracted from blood specimens of five CRC patients. The sequencing data of the samples are utilized for variant identification. In addition, the Integrative Genomic Viewer software (IGV) is used to visualize the identified variants. Furthermore, various in silico tools, including Mutation Taster and Align GVGD, are used to predict the potential impact of mutations on structural features and protein function. Based on the findings of this research, 12 different genetic variations are detected among individuals with CRC. Inherited variations are located within the following genes: MSH6, MSH2, PTPRJ, PMS2, TP53, BRAF, APC, and PIK3CA.

In order to study the dispersion and compatibility of polysilsesquioxane (POSS) with different functional groups in benzoxazine resin, four different polysilsesquioxane/polybenzoxazine (POSS/PBZ) composites are prepared based on 3‐phenyl‐3,4‐dihydro‐2H‐benzoxazine (PHa), unreactive Octaphenylsilsesquioxane (OPS), Mercaptopropyl‐isobutyl silsesquioxane (SPOSS) containing one reactive sulfhydryl group, Aminopropyl‐isobutylsilsesquioxane (NPOSS) containing one reactive amino group and Octa (aminophenyl) silsesquioxane (OAPS) containing eight reactive amino groups, respectively. Scanning electron microscope (SEM), transmission electron microscope (TEM), and transmission electron microscope with probe corrector (AC‐TEM) are used to investigate compatibility. The results indicate that OAPS have very good compatibility and interaction with benzoxazine in the molecular level based on the microstructure. Besides, molecular and mesoscopic dynamic simulations (MesoDyn) also confirms OAPS and PHa have the best compatibility based on the micro and mesoscopic aspects. Then their properties of thermal stability and glass transition temperature (Tg) are identified by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC), respectively. While OAPS is beneficial to increase the initial decomposition temperature (T5%) of PBZ by 26 °C and the Tg by 16 °C, comparing with pure PHa. However, NPOSS and SPOSS aggregate into micron‐sized silicon spheres, and OPS precipitates and deposits on the bottom of the resin, which could weaken the property of their thermal stability. [ABSTRACT FROM AUTHOR]

The widespread application of fuel cells is hampered by the sluggish kinetics of the oxygen reduction reaction (ORR), which traditionally necessitates the use of high-cost platinum group metal catalysts. The indispensability of these metal catalysts stems from their ability to overcome kinetic barriers, but their high cost and scarcity necessitate alternative strategies. In this context, porous organic polymers (POPs), which are built up from the molecular level, are emerging as promising precursors to produce carbonaceous catalysts owning to their cost-effectiveness, high electrical conductivity, abundant active sites and extensive surface area accessibility. To enhance the intrinsic ORR activity and optimize the performance of these electrocatalysts, recognizing, designing, and increasing the density of active sites are identified as three crucial steps. These steps, which form the core of our review, serve to elucidate the link between the material structure design and ORR performance evaluation, thereby providing valuable insights for ongoing research in the field. Leveraging the precision of polymer skeletons based on molecular units, POP-derived carbonaceous catalysts provide an excellent platform for in-depth exploration of the role and working mechanism for the specific active site during the ORR process. In this review, the recent advances pertaining to the synthesis techniques and electrochemical functions of various types of active sites, pinpointed from POPs, are systematically summarized, including heteroatoms, surficial substituents and edge/defects. Notably, the structure–property relationship, between these active sites and ORR performance, are discussed and emphasized, which creates guidelines to shed light on the design of high-performance ORR electrocatalysts. [ABSTRACT FROM AUTHOR]

Malignancies are the leading human health threat worldwide. Despite rapidly developing treatments, poor prognosis and outcome are still common. Magnetic fields have shown good anti-tumoral effects both in vitro and in vivo , and represent a potential non-invasive treatment; however, the specific underlying molecular mechanisms remain unclear. We here review recent studies on magnetic fields and their effect on tumors at three different levels: organismal, cellular, and molecular. At the organismal level, magnetic fields suppress tumor angiogenesis, microcirculation, and enhance the immune response. At the cellular level, magnetic fields affect tumor cell growth and biological functions by affecting cell morphology, cell membrane structure, cell cycle, and mitochondrial function. At the molecular level, magnetic fields suppress tumors by interfering with DNA synthesis, reactive oxygen species level, second messenger molecule delivery, and orientation of epidermal growth factor receptors. At present, scientific experimental evidence is still lacking; therefore, systematic studies on the biological mechanisms involved are urgently needed for the future application of magnetic fields to tumor treatment. Summary of possible mechanisms by which magnetic fields affect tumors. [Display omitted] [ABSTRACT FROM AUTHOR]

The toxicity of lead and instability are crucial factors hindering the commercialization of lead-based halide perovskite materials. In recent years, copper has been considered as one of the promising alternatives to lead in perovskites due to its abundance, environmental friendliness, and unique electronic structure. A bunch of new copper-based perovskite-like materials have been synthesized and their physical properties and chemical stabilities have been explored. However, there is still a lack of a comprehensive and systematic overview regarding copper-based perovskites and perovskite-like halides from the molecular level perspective. Therefore, focusing on the molecular structure, this review provides a summary of the crystal structures, electronic properties, and application principles of copper-based all-inorganic and organic-inorganic hybrid perovskites and perovskite-like halides. Furthermore, we have discussed the limitations of copper-based perovskites and perovskite-like halides, as well as provided our outlook on their future development directions. [Display omitted] • Cu-based perovskites and perovskite-like halides from molecular level perspective. • Crystal structures, electronic properties, and application principles. • Limitations of the developed copper-based materials and researches. • A prospective outlook on the future development direction. [ABSTRACT FROM AUTHOR]

Nanoplastics (NPs), especially those with different charges, as one of emerging contaminants pose a threat to aquatic ecosystems. Although differentially charged NPs could induce distinct biological effects, mechanistic understanding of the critical physiological processes of aquatic organisms from an integrated multilevel perspective on aquatic organisms is still uncertain. Herein, multi-effects of differentially charged nanosized polystyrene (nPS) including neutral nPS, nPS-COOH, and nPS-NH 2 on the photosynthesis-related physiological processes of algae were explored at the population, individual, subcellular, protein, and transcriptional levels. Results demonstrated that both nPS and nPS-COOH exhibited hormesis to algal photosynthesis but nPS-NH 2 triggered severe inhibition. As for nPS-NH 2 , the integrity of algal subcellular structure, chlorophyll biosynthesis, and expression of photosynthesis-related proteins and genes were interfered. Intracellular NPs' content in nPS treatment was 25.64 % higher than in nPS-COOH treatment, and the content of chloroplasts in PS and nPS-COOH treatment were 3.09 % and 4.56 % higher than control, respectively. Furthermore, at the molecular levels, more photosynthesis-related proteins and genes were regulated under nPS-COOH exposure than those exposed to nPS. Light-harvesting complex II could be recognized as an underlying explanation for different effects between nPS and nPS-COOH. This study first provides a novel approach to assess the ecological risks of NPs at an integrated multilevel. [Display omitted] • Flow cytometry detected NPs-induced change of algal chloroplast for the first time. • Individual chloroplast contents were elevated by both nPS (3.09 %) and nPS-COOH (4.56 %). • Photosystem II P680 reaction center D2 protein was the most crucial target protein. • Photosynthesis was the only significantly altered pathway in all NPs groups. [ABSTRACT FROM AUTHOR]

Nanomedicine has made great progress in the targeted therapy of cancer. Here, we established a novel drug-mate strategy by studying the formulation of nanodrugs at the molecular level. In the drug-mate combination, the drug is a hydrophobic drug that is poorly soluble in water, and the mate is an amphiphilic small molecule (SMA) that has both hydrophilic and lipophilic properties. We proposed that the hydrophobic drug could co-assemble with a suitable SMA on a nanoscale without additive agents. The proof-of-concept methodology and results were presented to support our hypothesis. We selected five hydrophobic drugs and more than ten amphiphilic small molecules to construct a library. Through molecular dynamic simulation and quantum chemistry computation, we speculated that the formation of nanoassemblies was related to the binding energy of the drug-mate, and the drug-mate interaction must overcome drug-drug interaction. Furthermore, the obtained SF/VECOONa nanoassemblieswas selected as a model, which had an ultra-high drug loading content (46%), improved pharmacokinetics, increased bioavailability, and enhanced therapeutic efficacy. In summary, the drug-mate strategy is an essential resource to design exact SMA for many hydrophobic drugs and provides a reference for the design of a carrier-free drug delivery system.

[Display omitted] The fundamental mechanistic understanding of the working principle of metal phthalocyanine (MPc) + H 2 O 2 system, at molecular level, is in its nascent stage. In this paper, a green strategy was employed for the immobilization of sulfonated cobalt phthalocyanine (CoPc) onto reduced graphene with assistance of bio-synthesized nanocellulose, and the resulting graphene-supported-CoPc (CoPc&G) was applied for the catalytic degradation of phenol solution with H 2 O 2 as oxidant. More than 90% of phenol can be removed within 75 min, and the existence of graphene clearly has a positive effect on the catalytic activity. Theoretical calculations were conducted to unveil the catalytic nature of CoPc&G. H 2 O 2 was favorably chemisorbed onto CoPc&G in the form of OOH−, hydroxyl radicals were favorably formed by homolytic cleavage of O O bonds, and ΔG value for the formation of reactive species was decreased with the existence of graphene. Density of states (DOS) analysis shows that graphene could effectively boost the electronic activity, reduce HOMO-LUMO gap, and strengthen the polarizability of the catalyst, thereby lower the free energy gap for the enhanced generation of reactive species. A detailed catalytic degradation route of phenol with CoPc&G + H 2 O 2 system was established based on the combination of theoretical calculations and experimental results. [ABSTRACT FROM AUTHOR]

Pesticides are an indispensable part of agricultural production, and herbicides are more widely used in agriculture. Through the hydroponic experiment, it was found that atrazine would affect the growth of Suaeda salsa. High throughput sequencing was used to analyze its transcriptome in order to explain the growth pathway of atrazine on Suaeda salsa at molecular level. A total of 78.92 g data were obtained by transcriptome sequencing of Suaeda salsa, 443515 transcripts with an average length of 998 BP were obtained, and 261694 unigenes with an average length of 864 BP were obtained by splicing. All unigenes were annotated with seven databases, and 195917 unigenes were annotated successfully in at least one of the above seven databases, accounting for 74.86% of the total unigenes. The results of differential analysis were analyzed by KEGG pathway enrichment analysis. The results showed that the processes of significant enrichment of high, medium and low atrazine concentrations compared with the control group were ribosome, phagosome and oxidative phosphorylation. The transcription and translation related genes of elongation factor in ribosomes and SecY membrane protein related genes producing protein membrane channels were up-regulated, the F-actin and V-ATPase related genes involved in transport in phagocytes were up-regulated, and the f-atpase and V-ATPase related genes producing ATP during oxidative phosphorylation were up-regulated, indicating that the above related genes were involved in the corresponding response to atrazine stress. [ABSTRACT FROM AUTHOR]

The widespread application of fuel cells is hampered by the sluggish kinetics of the oxygen reduction reaction (ORR), which traditionally necessitates the use of high-cost platinum group metal catalysts. The indispensability of these metal catalysts stems from their ability to overcome kinetic barriers, but their high cost and scarcity necessitate alternative strategies. In this context, porous organic polymers (POPs), which are built up from the molecular level, are emerging as promising precursors to produce carbonaceous catalysts owning to their cost-effectiveness, high electrical conductivity, abundant active sites and extensive surface area accessibility. To enhance the intrinsic ORR activity and optimize the performance of these electrocatalysts, recognizing, designing, and increasing the density of active sites are identified as three crucial steps. These steps, which form the core of our review, serve to elucidate the link between the material structure design and ORR performance evaluation, thereby providing valuable insights for ongoing research in the field. Leveraging the precision of polymer skeletons based on molecular units, POP-derived carbonaceous catalysts provide an excellent platform for in-depth exploration of the role and working mechanism for the specific active site during the ORR process. In this review, the recent advances pertaining to the synthesis techniques and electrochemical functions of various types of active sites, pinpointed from POPs, are systematically summarized, including heteroatoms, surficial substituents and edge/defects. Notably, the structure–property relationship, between these active sites and ORR performance, are discussed and emphasized, which creates guidelines to shed light on the design of high-performance ORR electrocatalysts.

The structure and reactivity of coal is the core problem of coal chemistry, and solving it at the molecular level has been an international unsolved problem. The chemical similarity-based coal chemistry group elevates the study from the macroscopic to the molecular level. However, the previous free radical mechanism lacks experimental confirmation and theoretical computational support. Here, the pyrolysis products of model compounds are first utilized to predict pyrolysis. The hydrogen-donating solvent is then used as a radical trap to confirm the reaction. Subsequently, density functional theory calculations are utilized to aid in the validation. Finally, family components are utilized to demonstrate the universality of the free radical mechanism of coal pyrolysis. This work combines radical trapping with quantum chemical calculations to analyze the radical reaction mechanism of coal pyrolysis in depth at the molecular level. This will provide a theoretical basis for coal pyrolysis and clean and efficient utilization. [Display omitted] • The mechanism of the coal pyrolysis free radical reaction was analyzed in depth at the molecular level. • The combination of free radical trapping and simulated quantum chemical calculations is realized. • The free radical mechanism's general applicability to raw coal's pyrolysis reaction is confirmed. [ABSTRACT FROM AUTHOR]

[Display omitted] • UDB and DB at different pyrolysis temperatures played contrasting roles. • DB800-amended group displayed superior nitrogen removal performance. • DB at lower pyrolysis temperature imposed suppression. • Properties of dissolved organic matter released by DB were tracked at molecular level. Biochar has attracted increasingly attention in the biological wastewater treatment owing to its unique environmental behavior. However, the differential effects of undissolved and dissolved fractions of biochar (hereafter named as UDB and DB, respectively) on the anaerobic ammonium oxidation (anammox) process remain unclear. The study evaluated the nitrogen removal performance of anammox system in response to UDB and DB prepared at different pyrolysis temperatures (300 °C, 550 °C and 800 °C). The DB800-amended group displayed superior nitrogen removal performance with the total nitrogen removal efficiency (TNRE) of 92.8 ± 1.4 %. Compared with CK, TNRE was changed by +5.0 % (UDB300), +0.4 % (UDB550) and −22.3 % (UDB800) for UDB-amended groups, and by −16.0 % (DB300), −9.4 % (DB550), and +9.2 % (DB800) for DB-amended groups, respectively. The differences were closely related to the physicochemical properties of UDB and DB. Particularly, dissolved organic matter released by DB were tracked at molecular level, which revealed that CHO occupied the highest proportion of 70.3 % and lignin-like and carboxylic rich alicyclic molecules were dominant in DB800. This study would facilitate the understanding of the differences between the nitrogen removal performance of UDB and DB-amended anammox, thus providing deeper insights for the comprehensive assessment of the impacts of biochar on the anammox process. [ABSTRACT FROM AUTHOR]

Microwave absorption materials (MAMs), which can simultaneously show high reflection loss (RL) and broad effective absorbance band (EAB) at a thinner matching thickness, were meaningful to the settlement of current electromagnetic wave pollution. Herein, all-polymer derived carbon foam with unique molecular-level interpenetrating carbon network (ICN) heterojunction interface was constructed. The heterostructure was fabricated through carbonizing the molecular-level miscible interpenetrating polymer networks (IPN) of polyimide foam (PIF) and bismaleimide (BMI), while target heterojunction was proved through several characterizations. Benefitting from stronger polarization loss gene derived from countlessly molecular-level heterojunction interface of ICN, higher RL value could be realized at a thinner matching thickness. As a result, when only orthogonal polymerizing 5 wt% BMI with PIF, maximum RL value of corresponding carbon foam (CPIF-CBMI-5%) could achieve −72.8dB at the matching thickness of only 2.05 mm. In addition, the matching thicknesses of CPIF-CBMI-5% that covered the whole X band and Ku band were significantly decreased by 25% (3.75 mm to 2.8 mm) and 21% (2.6 mm to 2.05 mm) respectively, which was also superior to most foam materials that decorated by traditional loading or doping. Moreover, maximum EAB of CPIF-CBMI-5% could also achieved 6.2 GHz at 2.05 mm and its density was as low as 0.026 g/cm3. [Display omitted] • The unique molecular-level interpenetrating carbon network (ICN) heterojunction interface was proposed and fabricated by carbonizing molecular-levelly miscible interpenetrating polymer networks (IPN). • Strong polarization loss gene provided by molecular-level heterojunction interface of ICN structure was found to play the key roles for noticeably decreasing matching thickness and improving RL value. • The matching thickness of CPIF-CBMI-5% that covered the whole X/Ku band was significantly decreased 25% and 21% respectively. It also showed RL value up to −72.8 dB, maximum EAB up to 6.2 GHz at thickness of only 2.05 mm, the density was as low as 0.026 g/cm3. [ABSTRACT FROM AUTHOR]

BACKGROUND: Ligamentum flavum hypertrophy is considered to be the main cause of lumbar spinal stenosis. In recent years, it has been reported that hypertrophy of the ligamentum flavum is related to growth factors, microRNAs and key signaling pathways. OBJECTIVE: To make a systematic review on the molecular level and signaling pathway of hypertrophic fibrosis of the ligamentum flavum. METHODS: Chinese and foreign databases, including CNKI, VIP, WanFang, PubMed, Biosos Preview, and Web of Science, were searched for relevant articles, and the basic experiments of hypertrophic fibrosis of the ligamentum flavum were collected by hand. The search terms included “lumbar spinal stenosis; hypertrophy of ligamentum flavum; ligamentum flavum hyperplasia; fibrosis of ligamentum flavum; cell factor; protein; signal path; microRNA” in Chinese and English, respectively. The retrieval time limit was set as June 30, 2020. The retrieved articles were screened in strict accordance with the inclusion criteria, and finally 15 relevant basic experimental articles were reviewed. RESULTS AND CONCLUSION: In the process of hypertrophic fibrosis, the ligamentum flavum can be affected by a variety of growth factors, miRNAs and multiple signaling pathways. Therefore, it is rational to speculate that the proliferation and fibrosis of the ligamentum flavum is a consequence of multi-dimensional coordination by multiple biological processes. However, the degree of fibrosis has not been determined yet, and further basic research is still needed in the future. [ABSTRACT FROM AUTHOR]

Cancer stem cells (CSCs) are a subpopulation of cancer cells with functions similar to those of normal stem cells. Although few in number, they are capable of self-renewal, unlimited proliferation, and multi-directional differentiation potential. In addition, CSCs have the ability to escape immune surveillance. Thus, they play an important role in the occurrence and development of tumors, and they are closely related to tumor invasion, metastasis, drug resistance, and recurrence after treatment. Therefore, specific targeting of CSCs may improve the efficiency of cancer therapy. A series of corresponding promising therapeutic strategies based on CSC targeting, such as the targeting of CSC niche, CSC signaling pathways, and CSC mitochondria, are currently under development. Given the rapid progression in this field and nanotechnology, drug delivery systems (DDSs) for CSC targeting are increasingly being developed. In this review, we summarize the advances in CSC-targeted DDSs. Furthermore, we highlight the latest developmental trends through the main line of CSC occurrence and development process; some considerations about the rationale, advantages, and limitations of different DDSs for CSC-targeted therapies were discussed. Emerging CSCs-targeted drug delivery systems for efficient cancer therapy following the main line of CSCs occurrence and development process from the whole to the part and from the outside to the inside. Image 1 [ABSTRACT FROM AUTHOR]

Introducing a magnetic-field gradient into an electrically driven chemical reaction is expected to give rise to intriguing research possibilities. In this work, we elaborate on the modes and mechanisms of electrocatalytic activity (from the perspective of alignment of magnetic moments) and selectivity (at the molecular level) for the CO 2 reduction reaction in response to external magnetic fields. We establish a positive correlation between magnetic field strengths and apparent current densities. This correlation can be rationalized by the formation of longer-range ordering of magnetic moments and the resulting decrease in the scattering of conduction electrons and charge-transfer resistances as the field strength increases. Furthermore, aided by the magnetic-field-equipped operando infrared spectroscopy, we find that applied magnetic fields are capable of weakening the C-O bond strength of the key intermediate ∗COOH and elongating the C-O bond length, thereby increasing the faradaic efficiency for the electroreduction of CO 2 to CO., Competing Interests: The authors declare no conflict of interests., (© 2024 The Author(s).)

The information contained in the dielectric response of materials is useful to study the charge transport behaviour of dielectric materials at the molecular level. Therefore, in this work, broadband dielectric spectroscopy is used to measure complex permittivity of epoxy resin and its nanocomposites over a wide frequency range of 10^−3–10^+6 Hz. Measurements are carried out at different temperatures (25–90°C) and relative humidities of 50% RH and 90% RH. Nanocomposites are prepared with as-received and surface-functionalised barium titanate (BaTiO(3)) nanofillers incorporated into epoxy. Filler loading of 1–10% by volume are achieved and investigated. A detailed study of the effect of filler loading and surface functionalisation of particles before incorporation into the nanocomposite is included. It is seen that the addition of nanofillers increases both real and imaginary relative permittivity of the composite. Experiments are carried out to understand the effect of water content on epoxy and its nanocomposites. It reveals that low-frequency dispersion or quasi-DC conduction is exhibited at high humidity (90% RH) and high temperature (90°C).

• Polar nitrogen and its oxide emulsified with water, causing 12 times increase in viscosity of Jimsar shale oil. • At 30 °C, the re-emulsification viscosity reduction rate of surfactants was >94%. • Electronegativity and long chains lead to high interaction energy between the surfactant and polar molecules. • Surfactant reduces viscosity via weak dipole–dipole, CH-π type, and some weak interactions. • Modified emulsion self-decomposed and almost completely dehydrated within 3 h. The high viscosity caused by oil–water emulsification and the lack of clarity on the viscosity-causing mechanism have seriously affected the development of Jimsar shale oil. In this paper, the mechanism behind the increase in viscosity due to emulsification for Jimsar shale oil is revealed at the molecular level, using high-resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) coupled with Electrospray ionization (ESI) technique. The high amount of N1 compounds (carbazoles and indoles) in shale oil combine with water through the N–H bond with the pyridine ring adsorbing formation water, which enhances crude oil's emulsification and water-binding ability. A stable W/O emulsion was formed with water and significantly increased the viscosity of the formation fluid. DFT calculations showed that the interaction energy (E int) of anionic surfactant AS-1 and AS-2 with polar macromolecules was −258.70 and −77.03 kcal/mol, respectively. The interaction energy of these two systems was much lower than that between H 2 O and polar macromolecules (-50.87 kcal/mol). It indicated that AS-1 and AS-2 could penetrate the oil–water interface and form stronger interactions with polar macromolecules. Thus, the W/O emulsion is in a reversed-phase, and the viscosity is reduced. The laboratory results showed that the viscosity reduction rates (VRR) of AS-1 and AS-2 due to re-emulsification were greater than 94% at 30℃. The O/AS-1/W and O/AS-2/W emulsions formed during re-emulsification have pseudoplastic fluid flow characteristics and are relatively stable. The emulsions also exhibit spontaneous destabilization and water separation properties, lowering the cost of oil–water separation of produced liquid. Through weak dipole–dipole interaction, CH-π type interaction, and some weak interactions (O∙∙∙N, O∙∙∙S, O∙∙∙H), AS-1 and AS-2 make the space between crude oil and emulsion components more open and inhibit the aggregation of polar macromolecules furthering the viscosity reduction effect. [ABSTRACT FROM AUTHOR]

• Chronic mancozeb (MAZ) exposure causes hazards to the health of Nile tilapia. • MAZ exposure motivates immune-antioxidant retardation and oxidative stress. • MAZ induces hepato-nephrotoxicity and gene expression disruptions. • Dietary Indian frankincense (IFRE) rescues the MAZ-associated adverse impacts. • IFRE-fortified diet (5 g/kg) is a natural candidate for aquaculture sustainability. This study was established to look into the toxicological consequences of chronic exposure to a fungicide (mancozeb; MAZ) on the immune-antioxidant response, gene expressions, hepato-renal functions, and histological pictures of Nile tilapia (Oreochromis niloticus). Additionally, the effectiveness of Indian frankincense resin extract (IFRE) to mitigate their toxicity was taken into account. Fish (n =240; average body weight: 22.45 ± 2.21 g) were randomized into four groups for eight weeks in six replicates (control, IFRE, MAZ, and IFRE + MAZ), where ten fish were kept per replicate. The control and IFRE groups received basal diets that included 0.0 and 5 g/kg of IFRE without MAZ exposure. The MAZ and IFRE+MAZ groups received the same diets and were exposed to 1/10 of the 96-h of LC 50 of MAZ (1.15 mg/L). The outcomes displayed that MAZ exposure resulted in a lower survival rate (56.67 %) and significantly decreased levels of immune-antioxidant variables (antiprotease, complement3, phagocytic activity, lysozyme, glutathione peroxidase, superoxide dismutase, and total antioxidant capacity) compared to the control group. The MAZ-exposed fish showed the greatest levels of lipid peroxide (malondialdehyde), alkaline phosphatase, alanine amino-transferase, and stress indicators (cortisol and glucose). Additionally, histopathological alterations, including vacuolation, severe necrosis, degeneration, and mononuclear cell infiltrations in the hepatic, renal, and splenic tissues resulted, besides a reduction in the melanomacrophage center in the spleen. A down-regulation of immune-antioxidant-associated genes [toll-like receptors (TLR-2 and TLR-7), nuclear factor kappa beta (NF-κβ), transforming growth factor-beta (TGF-β), phosphoinositide-3-kinase regulatory subunit 3 gamma b (pik3r3b), interleukins (IL-1β and IL-8), glutathione synthetase (GSS), glutathione peroxidase (GPx), and superoxide dismutase (SOD)] were the consequences of the MAZ exposure. Remarkably, the dietary inclusion of IFRE in MAZ-exposed fish augmented the immune-antioxidant parameters, including their associated genes, decreased stress response, and increased survival rate (85 %) compared with the MAZ-exposed fish. Moreover, dietary IFRE improved hepato-renal function indices by preserving the histological architecture of the hepatic, renal, and splenic tissues. The insights of this study advocate the use of an IFRE-dietary addition to protect Nile tilapia from MAZ toxicity, which provides perspectives for future implementations in enhancing fish health for sustainable aquaculture. [ABSTRACT FROM AUTHOR]

• Direct mass spectrometry analysis struggles to reveal the heterogeneity of DOM in connected water bodies. • EEM-clustering method can capture the heterogeneous distribution of DOM. • A combination of spectroscopy and mass spectrometry is effective in DOM analysis. The exploring of molecular-level heterogeneity of dissolved organic matter (DOM) in highly connected water bodies is of great importance for pollution tracing and lake management, and provides new perspectives on the transformations and fate of DOM in aquatic systems. However, the inherent homogeneity of DOM in connected water bodies poses challenges for its heterogeneity analysis. In this work, an innovative method combining fluorescence spectroscopy, high-resolution mass spectrometry (HRMS), and cluster analysis was developed to reveal the heterogeneity of DOM in highly connected water bodies at the molecular level. We detected 4538 molecules across 36 sampling sites in Chaohu Lake using HRMS. Cluster analysis based on excitation-emission matrix (EEM) data effectively divided the sampling sites into four clusters, representing the water bodies from West Chaohu Lake, East Chaohu Lake, agricultural land, and urban areas. Analysis of DOM in the western and eastern parts of the lake revealed that aerobic degradation led to a decrease in CHOS and aliphatic compounds, alongside an increase in CHO and highly unsaturated and phenolic compounds. Furthermore, we unveiled the characteristics and sources of heterogeneity in DOM from agricultural land and urban areas. Our method accurately captured the heterogeneous distribution of DOM in the lake and revealed the heterogeneous composition of DOM at molecular level. This work underscores the importance of integrating complementary spectroscopic analyses with HRMS in DOM research with similar compositions. [Display omitted] [ABSTRACT FROM AUTHOR]

The development of polydopamine (PDA) coatings with a nanometer-scale thickness on surfaces is highly desirable for exploiting the novel features arising from the specific structure on the molecular level. Exploring the mechanisms of thin-film growth is helpful for attaining desirable control over the useful properties of materials. We present a systematic study demonstrating the growth of a PDA thin film on the surface of mica in consecutive short deposition time intervals. Film growth at each deposition time was monitored through instrumental techniques such as atomic force microscopy (AFM), water contact angle (WCA) analysis, and X-ray photoelectron spectroscopy (XPS). Film growth was initiated by adsorption of the PDA molecules on mica, with subsequent island-like aggregation, and finally, a complete molecular level PDA film was formed on the surface due to further molecular adsorption. A duration of 60−300 s was sufficient for complete formation of the PDA layer within the thickness range of 0.5−1.1 nm. An outstanding feature of PDA ultrathin films is their ability to act as a molecular adhesive, providing a foundation for constructing functional surfaces. We also explored antimicrobial applications by incorporating Ag nanoparticles into a PDA film. The Ag NPs/PDA film was formed on a surgical blade and then characterized and confirmed by SEM-EDS and XPS. The modified film inhibited bacterial growth by up to 42% on the blade after cutting through a pork meat sample.

Two medium-low temperature coal tars (MLCTs) derived from the pyrolysis of low-grade bituminous coal were separated into 11 narrow fractions by true boiling distillation. The primary property and chemical composition analysis of MLCTs and their distillate narrow fractions were investigated at the macroscopic and molecular level by gas chromatography-mass spectrometer (GC-MS) and proton nuclear magnetic resonance (1H NMR). The two MLCTs show obvious characteristics of medium-low temperature coal tar, including a high H/C, high-oxygen and nitrogen, low-sulfur, low-density, and low viscosity. As the boiling point increases, the molecular weight of each distillate fraction increases continuously. Meanwhile, the yield of each distillate fraction increases gradually, except for the 270–300 °C distillate fractions. The oxygen content in the 170–230 °C distillate fractions is much higher than that of the other distillate fractions. The dominant groups of compounds in the MLCTs were saturates, aromatics, and resins, and the resin content was above 24.5 wt%. The molecular composition of the below 170 °C fractions mainly consists of benzene, toluene, and xylene, and the main phenolic compounds in the 170–230 °C distillate fraction are low-rank phenols, such as phenol, cresol, and xylenol. Although the macroscopic properties of the MLCT-Z and MLCT-S were quite similar, the molecular composition, the group composition and hydrogen distribution in each MLCT and its narrow distillate fractions are still different. The present work has contributed to our present understanding of the composition of MLCTs and to the guiding of the efficient processing of MLCTs. [ABSTRACT FROM AUTHOR]

A molecular level characterization method for investigating composition and structure of medium and low temperature coal tar derived from Inner Mongolia lignite upgrading plant has been developed in this paper. The physical and chemical properties of medium and low temperature coal tar was described from macro level. The medium and low temperature coal tar and its chemical composition under different distillation ranges and subcomponent of different natures was investigated from molecular level. Firstly, the whole fraction of medium-low temperature coal tar was separated into 16 narrow fractions by real boiling distillation, and analyzed on their properties. Secondly, the acidic fraction, the alkaline component and the neutral component were separated by acid-base extraction for the >180 °C heavy fraction, and the neutral component was separated on the extraction chromatographic apparatus to obtain six characteristic subcomponents. The compositions and molecular structures of full-range fractions, narrow fractions and sub-fractions were analyzed by GC/MS. Results show that the water content of all coal tar fraction is 28%, at 20 °C, the density is 1003. 7 kg/m3, the oxygen content is 7.4%, and the fraction content( <180 °C) is 14.24%, and the fraction content( <360 °C) is 63.4%. This indicates that it is a typical medium and low temperature coal tar. The molecular compositions of light fractions( <180 °C) mainly comprise benzene, toluene and xylene, with some small molecular alkanes and olefins. In heavy distillate( >180 °C), acidic compound accounts for 27.6%, basic component 2.46%, neutral component69. 94%. In neutral components, Saturation is 33.60%, aromatic 38.70%, gelatine 25.10%, asphaltene 2.60%. The intermediate and heavy fractions also contain a large number of phenolic compounds, with aromatic hydrocarbons as main molecular structure, and long-chain n-alkanes as well. Medium and low temperature coal tar contains a large number of oxygenated compounds, mainly phenolic compounds, alkyl phenols, which are relatively abundant at 160-280 °C, and also contains a few number of ketones. [ABSTRACT FROM AUTHOR]

Investigating the organic structure of coal is an essential basic research for producing clean fuels and value-added fine chemicals by the clean and efficient utilization of coal. As a consequence, the structural characteristics of organic macromolecular in subbituminous coal (SBC) were analyzed at different levels using multiple destructive and non-destructive technical strategies. Correspondingly, the pyrolysis mechanisms of SBC organic macromolecular structure were investigated to understand through the molecular level correlation group component from extraction portion (EP) and flash pyrolysis (FP). In detail, solid-state 13C nuclear magnetic resonance analysis indicates that carbon skeleton of SBC mainly consists of aliphatic carbons (48.5%) and aromatic carbons (50.3%). The number of substituents on each aromatic ring in SBC is up to 2 on average and aliphatic linkages connect 3–4 aromatic rings. X-ray photoelectron spectrometer analysis exhibits that the >C–O- groups, pyrrolic, and sulfonic sulfurs of organic components are the most abundance O-, N-, and S-containing species, which is consistent with Fourier transform infrared and solid-state 13C nuclear magnetic resonance. The destructive analysis with thermogravimetric implies that organic macromolecular structure in SBC consists different types of covalent bonds (>C al -X) with different strength. Furthermore, the contents of chain alkanes (CAs, 17.4%), arenes (62.7%), and oxygen-containing organic species (OCOSs, 18.0%) in EP from SBC (EP SBC), while the CAs (53.1%), alkenes (7.4%), arenes (27.3%), and OCOSs (7.5%) in FP of SBC (FP SBC). Comprehensive comparative analysis of detectable small molecule species from EP SBC and FP SBC further indicate that the cleavage > C al -X bridge bonds of organic macromolecular structure in SBC attack by active hydrogen (H‧) through the pyrolysis reaction to obtain more alkenes, CAs, alkanols, and phenols. • The organic macromolecular skeleton in SBC is analyzed by multiple technical strategies. • The organic macromolecular skeleton in SBC consists of aliphatic and aromatic carbons. • Pyrolysis mechanisms are analyzed by correlation EP and FP at the molecular level. • Pyrolysis of organic skeleton produce new species by cleaving the >C–C< and >C–O- bonds. [ABSTRACT FROM AUTHOR]