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25001 Krishnendu Maity, Sourav Manna, Priya Bhandari, et al., Synchronous Reconfiguring Triplet Energy and Excitonic Redox Charge-Transfer States in Dual-Chromogen-Embedded Conjugated Polymers for Diverse and Efficient Photoredox Catalysis, ACS Appl. Mater. Interfaces (2026) https://pubs.acs.org/doi/abs/10.1021/acsami.5c25977

25002 Safia Bouhara, Rachid Belkada, Raouia Ben Sadok, et al., DFT-based analysis of BPA/PVDF interactions: physisorption evidenced in gas and aqueous phases, Theor. Chem. Acc., 145, 33 (2026) https://link.springer.com/article/10.1007/s00214-026-03282-0

25003 Jiahe Chen, Jinfeng Zhao, A computational decode of photoinduced dual hydrogen bonding interactions and ESDPT behaviors for H2BP-(OH)2DC-NH2 fluorophore, J. Saudi Chem. Soc., 30, 18 (2026) https://link.springer.com/article/10.1007/s44442-026-00067-9

25004 Mashal Khan, Misbah Azhar, Maryam Rafique, et al., Unraveling the photovoltaic insights of naphthalene-based functionalized chromophores with modified peripheral acceptors for organic solar cells: A DFT/TD-DFT approach, J. Saudi Chem. Soc., 30, 17 (2026) https://link.springer.com/article/10.1007/s44442-026-00066-w

25005 Mayank Khera, Ishita Belwal, Neetu Goel, Weaker noncovalent interactions of second transition metal series: A density functional study, J. Chem. Sci., 138, 19 (2026) https://link.springer.com/article/10.1007/s12039-026-02480-4

25006 Chin-Peng Chang, Chin-Hung Lai, Somdatta Yashwant Chaudhari, et al., Development of Substituted 2-(2-(Phenyl)hydrazono)-5,5-Dimethylcyclohexane-1,3-diones as Possible COX-2 Inhibitors, ChemistrySelect, 11, e06796 (2026) https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/slct.202506796

25007 Akshat Sharma, Quantum Assembly Theory: Bridging QTAIM and Molecular Complexity via Electron Density Topology, ChemRxiv (2026) https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15000864/v1

25008 G.S. Gopika Krishnan, C. Ragi, K. Muraleedharan, Tunable Nonlinear Optical Properties of Urea-Based Chromophores: A DFT Study on Solvent and Frequency Controlled NLO Switching, Next Res. (2026) https://www.sciencedirect.com/science/article/abs/pii/S305047592600299X

25009 A. R. Yusupova, S. S. Borisevich, E. M. Khamitov, et al., Reaction mechanism for the formation of a new type of heterocyclic salts with imidazolin-4-one ring: a quantum chemical study, Russ. Chem. Bull., 74, 3667 (2026) https://link.springer.com/article/10.1007/s11172-025-4839-4

25010 E. Taniş, F. Akman, U. Holikulov, et al., Solvent Effects on the Structural and Electronic Properties of Triallyl Isocyanurate: Experimental and Theoretical Investigation, Russ. J. Phys. Chem. B (2026) https://link.springer.com/article/10.1134/S1990793125701520

25011 Nikithaa Sivakumar, M. Swathika, Rajdeep Tyagi, et al., Synthesis, crystal structure elucidation, and molecular interaction studies of a guanidinium naphthoate adduct via Hirshfeld and docking analyses, Eur. Phys. J.-Spec. Top (2026) https://link.springer.com/article/10.1140/epjs/s11734-026-02220-2

25012 Tao Ren, Yu Bai, Xin Li, et al., A B/F/N-Contained Additive: Synchronous Regulation of Bilateral Electrode-Electrolyte Interphases and Elimination of HF Enables High-Voltage and High-Temperature Lithium Metal Batteries, Energy Storage Mater. (2026) https://www.sciencedirect.com/science/article/abs/pii/S2405829726001662

25013 Huiqing Sun, Ziyan Guo, Rachel Sun, et al., Investigation on structural characteristics and properties of B7O60/− clusters: Four-, five-, and six-membered rings as key structural building blocks, Comput. Theor. Chem. (2026) https://www.sciencedirect.com/science/article/abs/pii/S2210271X26001131

25014 Remya Punnyamurthy, Nekaa Nithya Sre Karuppan Ayyappan Venkatachalapathy, Jayavarthanan Toulasy, et al., Comprehensive quantum-chemical, spectroscopic, topological, and molecular docking investigation of 4FCA and 4MCA as potential anticancer agents targeting human estrogen receptor alpha, Struct. Chem. (2026) https://link.springer.com/article/10.1007/s11224-026-02736-2

25015 S. Kavitha, M. Saravanakumar, V. Balasubramanian, et al., Impact of hydrogen bonds on mesophase behaviours: Thermal and optical properties of chiral hydrogen bond liquid crystals, MRS Adv. (2026) https://link.springer.com/article/10.1557/s43580-026-01596-6

25016 F. Mollaamin, M. Monajjemi, Exploring the Potential Application of Silicon Carbide Nanocluster Through Probing the Structural, Physical and Distinctive Electronic Properties in Aluminum, Boron, or Gallium Battery: A Quantum Computational Study, Russ. J. Phys. Chem. B (2026) https://link.springer.com/article/10.1134/S1990793125701519

25017 Mohammed D. Sharahili, Saeed Samman, Jihan Qurban, et al., Multifunctional 1,3,4-oxadiazole-based donor-acceptor fluorophores exhibiting advanced photophysical properties for forensic and security applications and in silico anticancer evaluation., J. Photochem. Photobiol. A (2026) https://www.sciencedirect.com/science/article/abs/pii/S1010603026001656

25018 Muhammad Ijaz, Fatiqa Zafar, Waseeq-ul-Islam Zafar, et al., Strategic π-bridge modification of a BODIPY-based donor for enhanced charge transport and photovoltaic efficiency in organic solar cells, J. Mater. Sci. (2026) https://link.springer.com/article/10.1007/s10853-026-12402-x

25019 Wensen Zhang, Xiaoxuan Han, Ziyi Wang, et al., Bisphenol F chlorinated derivatives identified as emerging pollutants in home decorative boards: Occurrence and initial risk assessment, Environ. Chem. Ecotoxicol. (2026) https://www.sciencedirect.com/science/article/pii/S2590182626000615

25020 Tongda Liu, Weibing Xue, Yingzhang Liu, et al., Cellulose-Tannin-Glycerol (CTG): A Biomass-Based, Recyclable, and High-Performance Adhesive via Water-Regulated Cohesion, Adv. Funct. Mater. (2026) https://advanced.onlinelibrary.wiley.com/doi/abs/10.1002/adfm.202532068

25021 Mahnoor Awan, Muhammad Muzamma, Hamza Saleem, et al., Quantum chemical engineering of end-capping acceptors on DNR based molecules for their efficient optoelectronic properties to enhance photovoltaic properties, Phosphorus Sulfur (2026) https://www.tandfonline.com/doi/abs/10.1080/10426507.2026.2640187

25022 Monisha Srinivasan, Pavithra Selvam, Vetrivelan Vaithiyanathan, et al., Theoretical investigation of spectroscopic, electronic, molecular docking, static and frequency dependent nonlinear optical response on 2-(4-hydroxyphenyl)-4,5-diphenyl-1 H-imidazole, 3, 120 (2026) https://link.springer.com/article/10.1007/s44371-026-00581-0

25023 Zili Chen, Jiajun Wang, Yunren Qiu, The complexation of Sm(III) and Gd(III) with phosphorylated chitosan in aqueous solution and separation by rotating disk membrane: Shear stability of the complexes and DFT insights, J. Environ. Chem. Eng. (2026) https://www.sciencedirect.com/science/article/abs/pii/S2213343726011905

25024 Mahmoud A. A. Ibrahim, Asmaa M. M. Mahmoud, Rehab R. A. Saeed, et al., π-Hole Interactions Versus π-Hole⋯π-Hole Interactions of Halogen-Bearing Molecules: An Ab Initio Study, J. Chem. (2026) https://onlinelibrary.wiley.com/doi/10.1155/joch/9723573

25025 Laya Pagadala, Sivakumar Vaidyanatha, Mahesh Kumar Ravva, Rigidifying Donor–Acceptor Frameworks via C–C Interlocking to Modulate Excited-State Dynamics in HLCT Emitters, Mater. Adv. (2026) https://pubs.rsc.org/en/Content/ArticleLanding/2026/MA/D5MA01318F

25026 Yan Zhao, Jia-Wei Zhang, Fu-Lian Huang, et al., Stable Co(II)-MOFs with imidazole-carboxylate mixed ligands for multi-analyte fluorescent sensing, Inorg. Chem. Commun. (2026) https://www.sciencedirect.com/science/article/abs/pii/S1387700326003734

25027 Georgios Kamaris, Kyriakos Kachrimanis, Catherine K. Markopoulou, Experimental multivariate modeling of structure-fluorescence relationships in organic compounds under chromatographic conditions: A proof-of-concept study, J. Chromat. Open (2026) https://www.sciencedirect.com/science/article/pii/S2772391726000204

25028 Jiaan Gao, Tianyu Cui, Hang Qu, et al., Unraveling the phase-dependent ESPT pathways in multi-channel PiQ molecule: insights from TDDFT calculations, Spectrochim. Acta A (2026) https://www.sciencedirect.com/science/article/abs/pii/S1386142526003069

25029 Yiling Liu, Jinjuan Xue, Fan Xia, et al., Development of a Broad-Spectrum High Affinity Antibody for a Non-Targeted Early Warning and Verification Strategy of Organophosphorus Nerve Agents Exposure, Analytica, 7, 25 (2026) https://doi.org/10.3390/analytica7010025

25030 Liangyue Cheng, A. G. Cherednichenko, DFT study of the size effect on the adsorption configuration of 5-chlorouracil on BnNn (n = 12, 16, 20, 24) nanocages, Theor. Chem. Acc., 145, 36 (2026) https://link.springer.com/article/10.1007/s00214-026-03289-7

25031 E. I. Davydova, D. V. Spiridonova, A. V. Pomogaeva, A. Y. Timoshkin, (Inter)Polyhalide Complexes of Protonated 1,2-bis(pyridyl)Ethane and 1,2-bis(pyridyl)Ethylene, J. Struct. Chem., 67, 254 (2026) https://link.springer.com/article/10.1134/S0022476626020034

25032 Hai Yu, Hanlin Gan, Qinglin Jiang, Yuguang Ma, Molecular Packing and Morphology of Perylene Diimide Dianion-Based Thin Films: Insights from Molecular Dynamics Simulations, Langmuir (2026) https://pubs.acs.org/doi/abs/10.1021/acs.langmuir.5c06823

25033 Haotao Pu, Hongqian Zou, Yuhong Wang, et al., Design, synthesis and anti-TMV activity study of flavonol derivatives containing pyrimidine, Green Chem. Lett. Rev. (2026) https://www.tandfonline.com/doi/full/10.1080/17518253.2026.2638622

25034 Wenjing Hou, Yuxin Zhang, Yong Jiao, et al., Suppressing Non-Radiative Recombination at Perovskite/C60 Interface With Electron-Deficient π–π Stacking Triazine Polymers for Efficient Inverted Perovskite Solar Cells, Adv. Funct. Mater. (2026) https://advanced.onlinelibrary.wiley.com/doi/abs/10.1002/adfm.74903

25035 Xu Zhou, Jinjiang Xu, Hanyuan Huang, et al., Hydrogen-Bonded Molecular Scaffold Locks Metastable Amorphous Energetic Materials for Synergistic Energy Release and Safety, Adv. Funct. Mater. (2026) https://advanced.onlinelibrary.wiley.com/doi/abs/10.1002/adfm.74927

25036 Bo Yang, Wenmin Liao, Yue Kong, et al., Interpretable ML-DFT Framework for Performance Prediction and Structure–Activity Relationship Analysis of Acidic Copper Plating Levelers, J. Chem. Inf. Model. (2026) https://pubs.acs.org/doi/abs/10.1021/acs.jcim.6c00036

25037 Kai Zhang, Xuanzhi Mao, Wei Yan, et al., Radiation assisted heterostructure engineering in 2D conductive metal organic framework significantly boosting electrochemical performance for supercapacitor, Nano Res. (2026) https://www.sciopen.com/article/10.26599/NR.2026.94908588

25038 Xi Chang, Shuqing Chang, Zhen Zhao, et al., Negative and Positive Bipolar Photoresponse of CsPbBr3/MoSe2 Heterostructure, Adv. Funct. Mater. (2026) https://advanced.onlinelibrary.wiley.com/doi/abs/10.1002/adfm.202528289

25039 Weichen Meng, Wenqing Xue, Wenzuo Li, Shaoli Liu, σ-Hole mechanism in chalcogen-bond catalyzed aza-Diels–Alder reaction, J. Mol. Model., 32, 99 (2026) https://link.springer.com/article/10.1007/s00894-026-06686-8

25040 Kalpana Sharma, Vikas D. Ghule, Positional enigma of N-oxide on the (1,2,4-triazin-3-yl)furoxan frameworks: energetic properties, stability and interaction studies, Struct. Chem. (2026) https://link.springer.com/article/10.1007/s11224-026-02766-w

25041 Qing-Hui Ling, You Dou, Tongxia Jin, et al., Radical-Stabilizing Supramolecular Metallacage for Near-Infrared Photothermal Therapy, Small (2026) https://onlinelibrary.wiley.com/doi/abs/10.1002/smll.202513972

25042 Zhen Lin, Mingming Rong, Wanyu Tang, et al., Smart nano-assembly from traditional Chinese medicine: manganese-enhanced polysaccharide platform for orchestrated cancer chemo-immunotherapy, J. Adv. Res. (2026) https://www.sciencedirect.com/science/article/pii/S2090123226002511

25043 Baolei Qiao, Yuan Yao, Xiaofeng Li, et al., Efficient separation of isomer ketazine and pyrazoline mixtures by polyimide membrane, Coll. Surf. A (2026) https://www.sciencedirect.com/science/article/abs/pii/S0927775726008277

25044 Furong Yu, Yuekun Ji, Zongyuan Han, et al., Revealing the key factors of synergistic transport of microplastics and heavy metals in groundwater: Batch experiments, density functional theory calculations, molecular dynamics simulations, and machine learning modeling, Chem. Eng. J. (2026) https://www.sciencedirect.com/science/article/abs/pii/S1385894726027609

25045 Obinna C. Ngana, Daniel G. Malu, Liwaa Ali Hussein, Mustafa Kamil Muneam, Chemical effects of Cu-group metals on the structural modification of fullerene: a computational study of biosensor for guanine adsorption, Struct. Chem. (2026) https://link.springer.com/article/10.1007/s11224-026-02756-y

25046 Ghadah M. Al-Senani, Nahed H. Teleb, Mahmoud A.S. Sakr, et al., Single-atom transition metal–doped silicon-based nanotubes as efficient electrocatalysts for hydrogen evolution reaction, Comput. Theor. Chem., 1260, 115773 (2026) https://www.sciencedirect.com/science/article/abs/pii/S2210271X26001179

25047 Wenjing Zhu, Yu Guo, Yuxuan Mao, et al., Engineered dual-polysaccharide hydrogel loaded with ROS-scavenging nanozymes for atopic dermatitis therapy, Chem. Eng. J., 534, 175306 (2026) https://www.sciencedirect.com/science/article/abs/pii/S1385894726027658

25048 Wenjing Li, Yingzhong Huo, Yang Liu, et al., Synergistic σ-hole and spatial effects of bromine-modified iCOPs facilitate ultrafast recognition of ReO4− in extreme groundwater, 394, 137581 (2026) https://www.sciencedirect.com/science/article/abs/pii/S1383586626008506

25049 Yahui Guo, Yu Wang, Feifei Wang, et al., Nucleotide coordinated polymer nanoparticle-based hydrogel sensing platform for visual detection of organophosphorus and carbamate pesticides, Sens. Actuat. B, 458, 139820 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0925400526003989

25050 Zhiwen Chen, Mengting Yu, Zhaoyang Ju, et al., A first-principles study of the adsorption of imidazolium-based ionic liquids on Ag surfaces at the electronic level, Coll. Surf. A, 741, 140279 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0927775726008186

25051 Qiang Li, Xingliang Li, Yanqiu Yang, et al., Complexation of uranium(vi) with glyphosate in acidic to basic aqueous solutions, New J. Chem. (2026) https://pubs.rsc.org/en/content/articlelanding/2026/nj/d5nj04658k/

25052 Donor position driven excited state modulation in benzoylthiophene–carbazole emitters: divergent TTA/RTP pathways for high efficiency blue-cyan OLEDs

25053 Ajeet Kumar Sharma, Prasannamani Govindharaj, K. R. Justin Thomas, Przemyslaw Data, Donor position driven excited state modulation in benzoylthiophene–carbazole emitters: divergent TTA/RTP pathways for high efficiency blue-cyan OLEDs, J. Mater. Chem. C (2026) https://pubs.rsc.org/en/content/articlehtml/2026/tc/d6tc00271d

25054 Yicheng Wang, Ji Zeng, Shengze Su, et al., Rational design of a GSH-responsive, water-soluble, heavy-atom-free anthracene-BODIPY photosensitizer for near-infrared fluorescence imaging guided photodynamic therapy, Sens. Actuat. Chem. B, 139833 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0925400526004119

25055 Chongbei Wu1, Guanxia Dai1, Liying Huang, et al., Localized asymmetric electron distribution in COFs promotes efficient photocatalytic H2O2, Nano Res. (2026) https://www.sciopen.com/local/article_pdf/10.26599/NR.2026.94908633.pdf

25056 Zhan Chen, Zhiqiang Hu, Ahmed A. Fadhil, Natural humic acid and its derivatives can form interfacial metal-coordinated monolayers: a novel Electron-hindering strategy for preventing CO2-induced electrochemical degradation in CCUS engineering, Sep. Purif. Technol., 394, 137624 (2026) https://www.sciencedirect.com/science/article/abs/pii/S1383586626008907

25057 Yulin Wu, Kehua Wang, Zhuye Shang, et al., Benzophenothiazine-based fluorescent probes for bioamines and their applications in on-site visual monitoring of beef freshness assisted by smartphone, Microchem. J., 224, 117713 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0026265X2600915X

25058 Yu Zang, Rui Hou, Bohua Wei, et al., Cascade-controlled porous composite membranes: pore-supporting synergy enabling high-flux enantioseparation of amino acids and pharmaceuticals, Sci. China. Mater. (2026) https://link.springer.com/article/10.1007/s40843-025-3936-8

25059 Zhenghang Yang, Lei Cao, Kaikai Shi, et al., Sodium lignosulfonate-assisted enzymatic pretreatment for efficient corn straw conversion to 5-hydroxymethyl furfural: Machine learning guided response surface methodology and molecular mechanism, J. Environ. Chem. Eng., 14, 122257 (2026) https://www.sciencedirect.com/science/article/abs/pii/S2213343726012315

25060 A. Ahmad, A.A.M Abahussain, M.H. Nazir, M.M. Hussain, S.Z.J. Zaidi, Halogen- Mediated Chelation in 3-Bromocatechol: A DFT-Guided Design of an Organic Anode for Magnesium-Ion Batteries (MIBs), J. New Mater. Electrochem. Systems, 29, 1 (2026) https://www.newmaterials.ca/wp-content/uploads/2026/03/Art-1-JNMES-JAN26-pp01-12.pdf

25061 Canran Wu, Yun Wang, Xianghe Kong, et al., A theoretical study on complexation behaviors and selective separation of Th/U ions with four novel diamide ligands based on 4,5-diazafluorene framework, J. Radioanal. Nucl. Chem. (2026) https://link.springer.com/article/10.1007/s10967-026-10801-7

25062 Bhishma Karki, Kamel A. Saleh, Omayma Salim Waleed, et al., Petal-Graphyne as a novel 2D material for the detection of phosgene hazards gas: DFT perspective, Mater. Chem. Phys. (2026) https://www.sciencedirect.com/science/article/abs/pii/S0254058426003615

25063 Wenwen Fan, Yi Cheng, Runying He, et al., Hydration-regulated structural transformation and luminescent behaviors of three benzothiadiazole-based MOF isomers, J. Mol. Struct. (2026) https://www.sciencedirect.com/science/article/abs/pii/S0022286026007702

25064 Yuyan Zhang, Weiguo Zhang, Jinrun Wu, et al., Environmentally friendly salicylic acid additive inhibits HER and dendrite formation for high-safety aqueous zinc-ion batteries, Chem. Eng. J. (2026) https://www.sciencedirect.com/science/article/abs/pii/S1385894726024976

25065 Qianwen Yang, Xiuxiu Wu, Ayijiaerke Jieensi, et al., Pore characteristics influence on MOFs adsorption of pyrethroid pesticides revealed by GCMC simulation and DFT calculation, New J. Chem. (2026) https://pubs.rsc.org/en/content/articlelanding/2026/nj/d6nj00105j/

25066 Govindu Reddy Dagada, Vijayalakshmi Duraikannu, Rajesh Punniyamoorthy, et al., Computational vibrational analysis, electronic properties and molecular docking of 1-cyclohexanol and 2- (3-methyl-1, 3-butadienyl)-1, 3, 3-Trimethyl: A DFT approach, Ind. J. Biochem. Biophys., 63, 369 (2026) https://or.niscpr.res.in/index.php/IJBB/article/download/18046/5583

25067 Zhiwei Yang, Shihong Zhou, Haijun Long, et al., Dual-Acceptor-Clamped Diketopyrrolopyrrole for High Performance monopolar n-Type Transistors, Chem. Commun. (2026) https://pubs.rsc.org/en/content/articlelanding/2026/cc/d6cc00082g/

25068 Zhao-Xu Chen, Xin-Ran Li, Hao Li, et al., APTES-modified Al2O3 nanoparticles reinforced polyurea coating with enhanced wear and corrosion protection for Q235 steel, Prog. Org. Coat., 215, 110125 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0300944026001815

25069 Sijia Chen, Yanchao Yu, Mianyuan Wu, et al., A triphenylamine-based fluorescent probe for detecting pentachloronitrobenzene: Applications in herbal medicine, foods and bioimaging, Spectrochim. Acta A, 356, 127746 (2026) https://www.sciencedirect.com/science/article/abs/pii/S1386142526003173

25070 Xinyu Zhang, Ang Li, Maochun Wu, Trace additive-induced molecular interface enables highly reversible zinc anodes for aqueous batteries, J. Energy Storage, 155, 121533 (2026) https://www.sciencedirect.com/science/article/pii/S2352152X26011977

25071 Tianyi Ma, Qin Yan, Zhibo Li, et al., Crystal Structure of Poly(α-methylene-δ-valerolactone), Macromolecules (2026) https://pubs.acs.org/doi/abs/10.1021/acs.macromol.5c03417

25072 Wenjin Cao, Xiao-Fei Gao, Kevin Dollberg, et al., Electronic Structures and Stabilities of Trimethylsilyl-Masked Pnictogen and Chalcogen Complex Anions and Comparisons to Their Hydrides: A Combined Photoelectron Spectroscopy and Computational Study, Inorg. Chem. (2026) https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.6c00402

25073 Caiwei Pang, Shengrui Wang, Bingshan Jiang, et al., Efficient removal of metribuzin from water using modified beet molasses biochar: Adsorptive performance and mechanism, J. Water Proc. Eng., 86, 109855 (2026) https://www.sciencedirect.com/science/article/abs/pii/S2214714426004137

25074 Wei Zhang, Deming Wang, Zuoming Xu, et al., Self-heating characteristics and CO/CO2 generation mechanisms of long-flame coals under forced heating: A combined experimental and DFT study, Fuel, 422, 139119 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0016236126008720

25075 Cláudio M. Nunes, A. J. Lopes Jesus, Tatiana Caneca, et al., Triplet 4-Nitrenemethyl-Pyridine-N-Oxide: A Model Alkyl Nitrene Isolated in Cryogenic Matrices, J. Phys. Org. Chem. (2026) https://onlinelibrary.wiley.com/doi/pdf/10.1002/poc.70074

25076 M.V. Arularasu, T. Silambarasan, A Density Functional Theory Studies of Silver Doped Strontium Titanate: Photocatalytic Degradation of Ofloxacin Dye, BioNanoScience, 16, 239 (2026) https://link.springer.com/article/10.1007/s12668-026-02444-5

25077 Joaquín Hernández-Fernández, Rafael González-Cuello, Rodrigo Ortega-Toro, Effect of Double Substitutional Doping (2C → 2N/2S) in Graphene on the Interfacial Adhesion of CMC and LCmA: A DFT Study Aimed at Sustainable Lithium-Ion Battery Electrodes, J. Compos. Sci., 10, 163 (2026) https://www.mdpi.com/2504-477X/10/3/163

25078 Xinyue Xu, Dong Ding, Xinyu Ding, et al., Isomer design unlocks rainbow phosphorescence, Nat. Commun. (2026) https://doi.org/10.1038/s41467-026-70784-7

25079 Wenpeng Wei, Xiaozheng Zhao, Mengjia Li, et al., Dual-Phase High-Emission Fan-Shaped Donor–Acceptor Molecules for Multiple-Scenario VOC Sensing, Anal. Chem. (2026) https://pubs.acs.org/doi/abs/10.1021/acs.analchem.5c08128

25080 Еркасов Р.Ш., Жамкенова А.С., Сергазина С.М., et al., ВЛИЯНИЕ ГАЛОГЕНА НА ЭНЕРГЕТИКУ И ПРИРОДУ ВОДОРОДНЫХ СВЯЗЕЙ В Mn(II): QTAIM, NCI И ЭНЕРГОДЕКОМПОЗИЦИЯ, ACADEMIC JOURNAL OF PHYSICAL AND CHEMICAL SCIENCES (2026) https://journals.nauka-nanrk.kz/reports-science/article/download/8138/5429

25081 Shihui Fu, Gang Huang, Yuhan Zhou, Transient NaCl Templating: A Scalable Route to Defect-Rich Anthracite Hard Carbon Anodes for Advanced Sodium-Ion Batteries, Carbon (2026) https://www.sciencedirect.com/science/article/abs/pii/S0008622326002897

25082 Yi-kang Zhang, Du-jian Deng, Zhong-yi Luo, et al., Methionine-driven covalent chelation of Zn2+ by linusorb: a paradigm in hydrophobic cyclic peptide metal binding, Food Chem., 512, 148930 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0308814626010885

25083 Haowen Xing, Haichuan Cheng, Zhen Huang, et al., Dimensional engineering modulation of electron-spin synergy for conductive metal-organic frameworks to boost electromagnetic wave absorption, J. Energy Chem. (2026) https://www.sciencedirect.com/science/article/abs/pii/S2095495626001610

25084 Mohamed A. Saad, Mahmoud A.S. Sakr, Nahed H. Teleb, et al., Functionalized Silicene Quantum Dots as High-Performance Nanocarriers for Anticancer Drug Delivery, Micro Nanostruct. (2026) https://www.sciencedirect.com/science/article/abs/pii/S2773012326000907

25085 Jingjing Li, Haolin Zhang, Xinyu Zhou, et al., Molecular insights into SEN177 binding to human glutaminyl cyclase: a combined MD and DFT study, J. Mol. Graph. Model., 145, 109372 (2026) https://www.sciencedirect.com/science/article/abs/pii/S1093326326000987

25086 Jie Bao, Junxiang Huang, Dongping Wang, et al., Luminescence mechanism governed by substituent number: Tuning photoluminescence efficiency and OLED device performance, Dyes Pigments, 251, 113729 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0143720826001816

25087 Swaraj Pathak, Sandeep Kumar Mishra, Nilamoni Nath, Intramolecular Hydrogen Bond-Driven Conformational Preferences in Pyridine Containing Dibenzamide and Dicarboxamide Derivatives: Evidence from NMR and DFT-Based Computation, Phys. Chem. Chem. Phys. (2026) https://pubs.rsc.org/en/content/articlehtml/2026/cp/d5cp04810a

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