Chemical Structure Research Articles

Analyzing polycyclic aromatic hydrocarbons using topological indices and QSPR analysis to reveal molecular complexity

Polycyclic aromatic hydrocarbons (PAHs) have distinctive chemical structures and are well known for their wide range of uses and environmental relevance. This work explores the impact of these structural characteristics on eccentricity-based topological indices offering information about the arrangement of atoms within the molecules. This study uses quantitative structure-property relationship (QSPR) analysis to construct prediction models for understanding and forecasting specific PAHs including Dibenzo[e,l]Pyrene, Heptacence, Heptaphene, Naphthacene, Naphthalene, Naphto[1,2a]pyrene, Naphtho[2,3a]pyrene, perylene, Perylene, Picene, Phenanthrene, Pyrene, Tetraphene, Tribenzo[b,n,pqr]perylene, Tribenzo[a,fg,op]tetracene and Triphenylene. Furthermore, regression analysis applies to clarify the quantitative correlations between the factors under study and improves the interpretability of the data produced. The combined use of these diverse approaches advances a thorough comprehension of the mutual influence of chemical structure, topological indices and predictive modeling about PAHs.

Near-Infrared Absorbing Aza-BODIPY Dyes for Optoelectronic Applications.

Organic dyes that absorb light in the visible to near-infrared region have garnered significant interest, owing to their extensive utility in organic photovoltaics and various biomedical applications. Aza-boron-dipyrromethene (Aza-BODIPY) dyes are a class of chromophores with impressive photophysical properties such as tunable absorption from the visible region towards near infrared (NIR) region, high molar absorptivity, and fluorescence quantum yield. In this review, we discuss the developments in the aza-BODIPYs, related to their synthetic routes, photophysical properties and their applications. Their design strategies, modifications in chemical structures, mode/position of attachment, and their impact on photo-physical properties are reviewed. The potential applications of aza-BODIPY derivatives such as organic solar cells, photodynamic therapy, boron-neutron capture therapy, fluorescence sensors, photo-redox catalysis, photoacoustic probes and optoelectronic devices are explained.

AirCore Observations at Northern Tibetan Plateau During the Asian Summer Monsoon

AbstractWe present data and analysis of a set of balloon‐borne sounding profiles, which includes co‐located O3, CO, CH4, and particles, over the northern Tibetan Plateau during an Asian summer monsoon (ASM) season. These novel measurements shed light on the ASM transport behavior near the northern edge of the anticyclone. Joint analyses of these species with the temperature and wind profiles and supported by back trajectory modeling identify three distinct transport processes that dominate the vertical chemical structure in the middle troposphere, upper troposphere (UT), and the tropopause region. The correlated changes in profile structures in the middle troposphere highlight the influence of the strong westerly jet. Elevated constituent concentrations in the UT identify the main level of convective transport at the upstream source regions. Observed higher altitude maxima for CH4 characterize the airmasses' continued ascent following convection. These data complement constituent observations from other parts of the ASM anticyclone.

Pharmacological Implications of Natural Products of Fruits and Vegetable Origin on the Activity of Cytochrome P450 Enzymes

The primary goal of drug metabolism, sometimes referred to as pharmacokinetic process, is to change a medication's chemical structure to make it more readily excretable. Typically, phase I and phase II reactions involve this mechanism. Xenobiotics can stimulate or inhibit the activity of cytochrome P450 (CYP450) enzymes involved in phase I processes. The goal of this research is to clarify the clinical significance of CYP450 induction and inhibition by demonstrating how certain bioactive compounds found in foods or natural products derived from fruits and vegetables can alter CYP450 enzyme activity, impacting drug bioavailability and depuration in addition. The interaction between natural products and foods derived from fruits and vegetables and some pharmaceuticals that can result in toxicity or therapeutic failure will be explained with a few instances. This will make it possible to compile pertinent data regarding appropriate pharmaceutical management in a range of clinical contexts.

PEG-crosslinked O-carboxymethyl chitosan films with degradability and antibacterial activity for food packaging

This study developed a kind of PEG-crosslinked O-carboxymethyl chitosan (O-CMC–PEG) with various PEG content for food packaging. The crosslinking agent of isocyanate-terminated PEG was firstly synthesized by a simple condensation reaction between PEG and excess diisocyanate, then the crosslink between O-carboxymethyl chitosan (O-CMC) and crosslinking agent occurred under mild conditions to produce O-CMC–PEG with a crosslinked structure linked by urea bonds. FT-IR and 1H NMR techniques were utilized to confirm the chemical structures of the crosslinking agent and O-CMC–PEGs. Extensive research was conducted to investigate the impact of the PEG content (or crosslinking degree) on the physicochemical characteristics of the casted O-CMC–PEG films. The results illuminated that crosslinking and components compatibility could improve their tensile features and water vapor barrier performance, while high PEG content played the inverse effects due to the microphase separation between PEG and O-CMC segments. The in vitro degradation rate and water sensitivity primarily depended on the crosslinking degree in comparison with the PEG content. Furthermore, caused by the remaining –NH2 groups of O-CMC, the films demonstrated antibacterial activity against Escherichia coli and Staphylococcus aureus. When the PEG content was 6% (medium crosslinking degree), the prepared O-CMC–PEG−6% film possessed optimal tensile features, high water resistance, appropriate degradation rate, low water vapor transmission rate and fine broad-spectrum antibacterial capacity, manifesting a great potential for application in food packaging to extend the shelf life.

A Chemical Structure and Machine Learning Approach to Assess the Potential Bioactivity of Endogenous Metabolites and Their Association with Early Childhood Systemic Inflammation

Metabolomics has gained much attention due to its potential to reveal molecular disease mechanisms and present viable biomarkers. This work uses a panel of untargeted serum metabolomes from 602 children from the COPSAC2010 mother–child cohort. The annotated part of the metabolome consists of 517 chemical compounds curated using automated procedures. We created a filtering method for the quantified metabolites using predicted quantitative structure–bioactivity relationships for the Tox21 database on nuclear receptors and stress response in cell lines. The metabolites measured in the children’s serums are predicted to affect specific targeted models, known for their significance in inflammation, immune function, and health outcomes. The targets from Tox21 have been used as targets with quantitative structure–activity relationships (QSARs). They were trained for ~7000 structures, saved as models, and then applied to the annotated metabolites to predict their potential bioactivities. The models were selected based on strict accuracy criteria surpassing random effects. After application, 52 metabolites showed potential bioactivity based on structural similarity with known active compounds from the Tox21 set. The filtered compounds were subsequently used and weighted by their bioactive potential to show an association with early childhood hs-CRP levels at six months in a linear model supporting a physiological adverse effect on systemic low-grade inflammation.

Synthesis of Perylene Diimide Modified by POSS and its Assembly Behavior in Solution and SBS Matrix

In this work, Perylene diimide derivatives 1,7- POSS-PDI-C12 (PPC) were synthesized using 1,7-Br-PDI- C12, 18-crown-6 ether as phase transfer agent, K2CO3 as catalyst and THF as solvent in a reaction system. Subsequently, the POSS-SH group was successfully introduced into the perylene imide bay site in high yield. The chemical structure and molecular weight of the products were characterized by 1H-NMR, 13C-NMR, MALDI-TOF MS and FT-IR. The self-assembly behavior in different solvents was studied using the research solution self-assembly method. PPC remained in a single monomolecular state due to the bulky POSS group, which introduced large steric hindrance in the molecular packing, leading to the weakening of the π–π interactions. Then, the Composite thin films containing PPC in SBS was prepared. PPC do not exhibit significant force-chromic behavior owing to the dispersion of single- molecule states. This shows that in the construction of mechanochromic materials, chromophore molecules need to have a certain degree of aggregation in the matrix, but the aggregation degree should not be too high.

Stilbene derivatives from Gnetum montanum Markgr. with their xanthine oxidase inhibition activity

AbstractPhytochemical study on the methanol extract of the trunks of Gnetum montanum Markgr. led to the isolation of one new stilbene derivative, (E)‐2′‐methoxy‐3,5,5′‐trihydroxystilbene (1) and six known compounds, lehmbachol (2), gnetulin (3), trans‐shegansu B (4), cis‐shegansu B (5), (+)‐hannokinol (6), and gnetol (7). Their chemical structures were determined by spectroscopic analyses including HR‐ESI‐MS, 1D and 2D NMR, and circular dichroism methods in comparison with the reported data. In addition, compounds 1–5 showed xanthine oxidase inhibitory activity with IC50 values of 13.6, 35.2, 38.7, 43.4, and 47.7 µm, respectively, compared to the positive control, allopurinol, which showed IC50 value of 2.9 µm.

Red Algae Compounds: Potential Neuroprotective Agents for Neurodegenerative Disorders

This review explores the potential of compounds derived from red algae (Rhodophyta) as promising neuroprotective agents for treating neurodegenerative disorders. Red algae, abundant in marine environments, contain bioactive compounds with diverse chemical structures and functionalities. Sulfated polysaccharides, primarily agar and carrageenans, stand out as the predominant and widely utilized compounds derived from red algae. Additionally, red algae harbor a spectrum of potential molecules such as essential fatty acids, phycobiliproteins, vitamins, minerals, and secondary metabolites. Extensive research has highlighted the diverse biological activities exhibited by these compounds, including anti-oxidative and anti-inflammatory properties. These compounds show various biological activities that have garnered interest in their therapeutic potential for neurodegenerative diseases. This comprehensive review aims to summarize the current knowledge regarding the extraction, characterization, mechanisms of action, and therapeutic applications of Rhodophyta-derived compounds in the context of neuroprotection and treatment of neurodegenerative disorders.

Evaluation of diethyl 4-(5-bromo-1H-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate: synthesis, anti-corrosion potential, and biomedical applications

The pursuit of advanced multifunctional compounds has gained significant momentum in recent scientific endeavours. This study is dedicated to elucidating the synthesis, rigorous characterization, and multifaceted applications—encompassing anti-corrosion, antimicrobial, and antioxidant properties—of Diethyl 4-(5-bromo-1H-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate. The 1,4-dihydropyridine derivative was meticulously synthesized through a strategic reaction of ethyl acetoacetate, ammonium acetate, and 5-bromoindole-3-carboxaldehydein the ethanol medium at 60 C. Subsequent spectral validations were conducted using sophisticated techniques, namely FTIR, NMR, and Mass spectrometry, resulting in data that perfectly resonated with the hypothesized chemical structure of the compound. Its anti-corrosive potential was assessed on mild steel subjected to an aggressive acidic environment, employing comprehensive methodologies like gravimetric analysis, Tafel polarization, and EIS. Concurrently, its antimicrobial prowess was ascertained against a spectrum of bacterial and fungal pathogens viz., Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Pseudomonas, Candida albicansandAspergillusniger, leveraging the disc diffusion method and using Gentamicin as a reference standard.The empirical results illustrated a substantial decrement in corrosion rates with ascending concentrations of the organic compound, achieving an apex of anti-corrosive efficacy at 81.89% for a concentration of 2 × 103 M. Furthermore, the compound outperformed Gentamicin in antimicrobial screenings, manifesting superior efficacy against all tested pathogens. The antioxidant potential, quantified using the DPPH free radical scavenging assay against ascorbic acid as a benchmark, was found to have an IC50 value of 113.964 ± 0.076 µg/ml.This comprehensive investigation accentuates the paramount potential of the synthesized dihydropyridine derivative in diverse domains—from industrial applications as a corrosion inhibitor to therapeutic avenues given its pronounced antimicrobial and antioxidant capabilities. The compelling results obtained pave the way for expansive research and development initiatives cantered around this multifaceted compound.Graphical

The characteristics of high temperature polymer electrolyte membranes for fuel cell based on 2-pyridene based polybenzimidazole blended with poly(vinyl-phosphonic acid)

The present study has focused on exploring new 2-pyridine-bridge-based polybenzimidazole (2-Py-PBIs) based materials for various energy-related uses in proton exchange membrane fuel cells (PEMFC). An electrochemical device, which transforms chemical energy into electrical energy, is known as fuel cell. Using solution polymerization with polyphosphoric acid as a solvent, a series of 2-Py-PBIs were synthesised from the 4,4'-([2,4′-bipyridine]-2′,6′-diyl)bis (benzene-1,2-diamine). 2-Pyridine bridge Polybenzimidazoles are cross-linked with poly (vinylphosphonic acid), which helps us to improve membrane properties like mechanical properties and proton conductivities. FT-IR was used to characterize chemical structure, Ubbelohde viscometer was employed to determine the inherent viscosity. Additionally investigated were the oxidative stability, swelling ratio, ion exchange capability, and water uptake for 2-Py-PBIs. Thermogravimetric analysis is used to evaluate thermal stability. The obtained 2-Py-PBIs membranes were thermally stable and mechanically strong when compared with conventional polybenzimidazole-based membranes. The 2-Py-PBIs:PVPA membranes showed proton conductivity between 0.10 µS/m to 4.65 µS/m.

Ultrasound-assisted synthesis of novel Schiff bases from 3-(2-oxo-2H-chromen-3-yl)-1-(4-phenylthiazol-2-yl)-1H-pyrazole-4-carboxaldehyde and their cytotoxicity, apoptosis, cell cycle, molecular docking, and ADMET profiling

With the ultimate goal of discovering new anticancer agents, this study involved the design and synthesis of fifteen novel Schiff bases 4a,b, 5, 6a–d, 7a–e, and 8–10 which contain 3-(2-oxo-2H-chromen-3-yl)-1-(4-phenylthiazol-2-yl)-1H-pyrazole moiety. The synthetic method depended on reaction of 3-(2-oxo-2H-chromen-3-yl)-1-(4-phenylthiazol-2-yl)-1H-pyrazole-4-carboxaldehyde (3) with a series of aromatic and heteroaryl amines under ultrasound irradiation to explore the influence of aromatic and heteroaryl rings on biological activity. The chemical structures of these Schiff bases were fully elucidated using various spectral and elemental analyses. The antiproliferative activities of the Schiff bases were studied by the standard SRB method. Among the new 15 Schiff bases, derivatives 4a,b, 5, and 7b have significant cytotoxic effects against PC3, HepG2, and HCT116 cancer cell lines. These four bioactive Schiff bases significantly increased the late apoptosis of all studied tumor cells. Also, both products 4a and 4b arrested the cell cycle at the G1 phase, while both compounds 5 and 7b arrested the S and G2 phases against PC3 cells. In addition, the products 4a, 4b, 5, and 7b have promising high abilities to arrest the cell cycle at the G2 phase against HepG2 and HCT116 cells. The different substitutions on the aryl ring were the basis for the structure–activity relationship study. The molecular docking study confirmed good binding interactions of these compounds with Cyclin-dependent kinase 8 (CDK-8) receptor, while the absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction supported that these bioactive products can be promising anticancer agents.

The Gaseous Hydrogen Transport Capacity in Nanopores Coupling Bulk Flow Mechanisms and Surface Diffusion: Integration of Profession and Innovation

Due to its unique chemical structure, hydrogen energy inherently has a high calorific value without reinforcing global warming, so it is expected to be a promising alternative energy source in the future. In this work, we focus on nanoconfined hydrogen flow performance, a critical issue in terms of geological hydrogen storage. For nanopores where the pore scale is comparable to hydrogen’s molecular size, the impact on hydrogen molecules exerted by the pore surface cannot be neglected, leading to the molecules near the surface gaining mobility and slipping on the surface. Furthermore, hydrogen adsorption takes place in the nanopores, and the way the adsorption molecules move is completely different from the bulk molecules. Hence, the frequently applied Navier–Stokes equation, based on the no-slip boundary condition and overlooking the contribution of the adsorption molecules, fails to precisely predict the hydrogen flow capacity in nanopores. In this paper, hydrogen molecules are classified as bulk molecules and adsorption molecules, and then models for the bulk hydrogen and the adsorption hydrogen are developed separately. In detail, the bulk hydrogen model considers the slip boundary and rarefaction effect characterized by the Knudsen number, while the flow of the adsorption hydrogen is driven by a chemical potential gradient, which is a function of pressure and the essential adsorption capacity. Subsequently, a general model for the hydrogen flow in nanopores is established through weight superposition of the bulk hydrogen flow as well as the adsorption hydrogen, and the key weight coefficients are determined according to the volume proportion of the identified area. The results indicate that (a) the surface diffusion of the adsorption molecules dominates the hydrogen flow capacity inside nanopores with a pore size of less than 5 nm; (b) improving the pressure benefits the bulk hydrogen flow and plays a detrimental role in reducing surface diffusion at a relatively large pressure range; (c) the nanoconfined hydrogen flow conductance with a strong adsorption capacity (PL = 2 MPa) could reach a value ten times greater than that with a weak adsorption capacity (PL = 10 MPa). This research provides a profound framework for exploring hydrogen flow behavior in ultra-tight strata related to adsorption phenomena.

Multi‐Selenophene Strategy Enables Dimeric Acceptors‐Based Organic Solar Cells with over 18.5% Efficiency

AbstractDimeric acceptor (DMA) becomes a promising alternative to small‐molecular and polymeric acceptor‐based organic solar cells (OSCs) due to its well‐defined chemical structure, high batch‐to‐batch reproducibility, and low molecular diffusion properties. However, DMAs usually exhibit blueshifted absorptions, limiting their photon utilization abilities. Herein, multi‐selenophene strategies are adopted to develop redshifted DMAs. From monomer (YSe) to dimers (DYSe‐1 and DYSe‐2), reduced electron reorganization energies and exciton binding energies enable the efficient charge dynamics in the DMAs‐based OSCs. Together with their effective absorption extending to ≈920 nm, DYSe‐1‐ and DYSe‐2‐ based OSCs exhibit outstanding short‐circuit current densities (JSCs) over 27 mA cm−2, which are the best among DMAs. Besides, compared with the YSe‐based device, both DMA‐based devices have higher electroluminescence quantum efficiencies and thus reduce nonradiative recombination loss (ΔE3), contributing to their reduced energy losses. The resultant open‐circuit voltages (VOCs) of DYSe‐1‐ and DYSe‐2‐ based OSCs are ≈0.88 V, which, combining their super JSC values, lead to the promising power conversion efficiencies of 18.56% and 18.22%, respectively. These results are among the best in DMAs‐based OSCs and highlight the great potential of the multi‐selenophene strategy for the development of redshifted DMAs with high performance.

The Application of Sheep Wool in the Building Industry and in the Removal of Pollutants from the Environment

The presented review is focused on a brief overview of the scientific works on the use of sheep wool outside the textile industry that were published in recent years. The focus of the information is the on construction industry, which is a significant consumer of heat- and sound-insulating materials. With its properties, sheep wool can compete very well with insulators made from non-renewable resources. Other building elements can also be combined with wool, as long as they are used in appropriate conditions. Due to its chemical and physical structure, wool is extremely suitable for the adsorption removal of pollutants from the living and working environment, in native or modified form. Wool can also be used in recycling processes. However, each application must be preceded by an investigation of the optimal conditions of the given process, which offers researchers inspiration and interesting topics for research.

Neural network kinetics for exploring diffusion multiplicity and chemical ordering in compositionally complex materials

Diffusion involving atom transport from one location to another governs many important processes and behaviors such as precipitation and phase nucleation. The inherent chemical complexity in compositionally complex materials poses challenges for modeling atomic diffusion and the resulting formation of chemically ordered structures. Here, we introduce a neural network kinetics (NNK) scheme that predicts and simulates diffusion-induced chemical and structural evolution in complex concentrated chemical environments. The framework is grounded on efficient on-lattice structure and chemistry representation combined with artificial neural networks, enabling precise prediction of all path-dependent migration barriers and individual atom jumps. To demonstrate the method, we study the temperature-dependent local chemical ordering in a refractory NbMoTa alloy and reveal a critical temperature at which the B2 order reaches a maximum. The atomic jump randomness map exhibits the highest diffusion heterogeneity (multiplicity) in the vicinity of this characteristic temperature, which is closely related to chemical ordering and B2 structure formation. The scalable NNK framework provides a promising new avenue to exploring diffusion-related properties in the vast compositional space within which extraordinary properties are hidden.

Rice Origin Tracing Technology Based on Fluorescence Spectroscopy and Stoichiometry

The origin of agricultural products is crucial to their quality and safety. This study explored the differences in chemical composition and structure of rice from different origins using fluorescence detection technology. These differences are mainly affected by climate, environment, geology and other factors. By identifying the fluorescence characteristic absorption peaks of the same rice seed varieties from different origins, and comparing them with known or standard samples, this study aims to authenticate rice, protect brands, and achieve traceability. The study selected the same variety of rice seed planted in different regions of Jilin Province in the same year as samples. Fluorescence spectroscopy was used to collect spectral data, which was preprocessed by normalization, smoothing, and wavelet transformation to remove noise, scattering, and burrs. The processed spectral data was used as input for the long short-term memory (LSTM) model. The study focused on the processing and analysis of rice spectra based on NZ-WT-processed data. To simplify the model, uninformative variable elimination (UVE) and successive projections algorithm (SPA) were used to screen the best wavelengths. These wavelengths were used as input for the support vector machine (SVM) prediction model to achieve efficient and accurate predictions. Within the fluorescence spectral range of 475–525 nm and 665–690 nm, absorption peaks of nicotinamide adenine dinucleotide (NADPH), riboflavin (B2), starch, and protein were observed. The origin tracing prediction model established using SVM exhibited stable performance with a classification accuracy of up to 99.5%.The experiment demonstrated that fluorescence spectroscopy technology has high discrimination accuracy in tracing the origin of rice, providing a new method for rapid identification of rice origin.

In silico identification of a novel Cdc2‐like kinase 2 (CLK2) inhibitor in triple negative breast cancer

AbstractDysregulation of RNA splicing processes is intricately linked to tumorigenesis in various cancers, especially breast cancer. Cdc2‐like kinase 2 (CLK2), an oncogenic RNA‐splicing kinase pivotal in breast cancer, plays a significant role, particularly in the context of triple‐negative breast cancer (TNBC), a subtype marked by substantial medical challenges due to its low survival rates. In this study, we employed a structure‐based virtual screening (SBVS) method to identify potential CLK2 inhibitors with novel chemical structures for treating TNBC. Compound 670551 emerged as a novel CLK2 inhibitor with a 50% inhibitory concentration (IC50) value of 619.7 nM. Importantly, Compound 670551 exhibited high selectivity for CLK2 over other protein kinases. Functionally, this compound significantly reduced the survival and proliferation of TNBC cells. Results from a cell‐based assay demonstrated that this inhibitor led to a decrease in RNA splicing proteins, such as SRSF4 and SRSF6, resulting in cell apoptosis. In summary, we identified a novel CLK2 inhibitor as a promising potential treatment for TNBC therapy.

Application of modified kaolinite in improving thermal stability of polydimethylsiloxane

AbstractThis research investigated the chemical structure and morphology of the hydrogenated tallow amine (HTA)‐intercalated kaolinite by XRD, FT‐IR, and TEM measurements. The experimental outcomes show that intercalation of kaolinite by HTA, with an intercalation rate of 63.2%, expands the interlayer distance with a subsequent dominant basal XRD peak at 2θ ≈ 7.9°. Furthermore, a composite was created from the HTA‐intercalated kaolinite and polydimethylsiloxane (PDMS) through a favorable interaction between the end silanol groups of PDMS and the modified kaolinite surface. Thermogravimetry‐differential scanning calorimetry results indicate that introducing the HTA‐intercalated kaolinite into the PDMS matrix increases the thermal stability of the composite from 178 to 343 °C. However, the thermal stability of the composite is lower than that of other published materials. The synthesis of kaolinite/PDMS composite with enhanced structural and thermal stability outcomes has been provided via a simple and effective solution method that should have further applications.

Preparation and Photocatalytic Hydrogen Evolution Performance Study of NENU‐5/CuBr/Graphdiyne Tandem S‐Scheme Heterojunction

Graphdiyne (GDY) has been widely applied in the field of photocatalytic hydrogen production due to its unique chemical structure and excellent photoelectric performance. Herein, CuBr is used as a catalytic substrate to prepare CuBr/GDY through a cross‐coupling reaction, and a novel NENU‐5/CuBr/GDY tandem S‐scheme heterojunction photocatalyst is constructed at low temperature. The NENU‐5/CuBr/GDY heterojunction exhibits significantly enhanced activity in photocatalytic hydrogen evolution, with hydrogen evolution reaching 226.62 μmol in 5 h, which is 4.7 and 12.6 times greater than that of pure GDY and NENU‐5, respectively. Comprehensive evaluation of electrochemical, photoluminescence, and time‐resolved photoluminescence indicates that the enhanced activity of the NENU‐5/CuBr/GDY composite catalyst is attributed to high photocurrent response and low electrical resistance, which increases the efficiency of photogenerated charge separation. Additionally, density functional theory calculations and ultraviolet photoelectron spectroscopy propose the possibility of constructing the NENU‐5/CuBr/GDY tandem S‐scheme heterojunction structure. In summary, this work provides valuable ideas into tandem heterojunctions for photocatalytic hydrogen production.