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1.
Spectrochim Acta A Mol Biomol Spectrosc ; 324: 124960, 2025 Jan 05.
Article in English | MEDLINE | ID: mdl-39180967

ABSTRACT

In this study, the molecular, electronic, and chemical properties of the drug hydrochlorothiazide (HCTZ) are determined after cocrystallization with 4-aminobenzoic acid (4-ABA). Analysis has been performed to understand how those variations lead to alteration of physical properties and chemical reactivity in the cocrystal HCTZ-4ABA. IR and Raman characterizations were performed along with quantum chemical calculations. A theoretical investigation of hydrogen bonding interactions in HCTZ-4ABA has been conducted using two functionals: B3LYP and wB97X-D. The results obtained by B3LYP and wB97X-D are compared which leads to the conclusion that B3LYP is the best applied function (density functional theory) to obtain suitable results for spectroscopy. The chemical reactivity descriptors are used to understand various aspects of pharmaceutical properties. Natural bond orbital (NBO) analysis and quantum theory of atoms (QTAIM) are used to analyze nature and strength of hydrogen bonding in HCTZ-4ABA. QTAIM analyzed moderate role of hydrogen bonding interactions in HCTZ-4ABA. The calculated HOMO-LUMO energy gap shows that HCTZ-4ABA is chemically more active than HCTZ drug. These chemical parameters suggest that HCTZ-4ABA is chemically more reactive and softer than HCTZ. The results of this study suggest that cocrystals can be a good alternative for enhancing physicochemical properties of a drug without altering its therapeutic properties.

2.
Angew Chem Int Ed Engl ; : e202413816, 2024 Sep 20.
Article in English | MEDLINE | ID: mdl-39301985

ABSTRACT

Artificial water channels (AWCs) have been extensively explored to mimic natural proteins, which enables to effectively transport water while blocking ions. As one of the first AWCs, self-assembled I-quartets (HCx) have showcased high water-permselectivity that can be enhanced by improving their distribution and stability within membrane. The use of long alkyl chains (n>8) is constrained by their low solubility and aggregation. Herein, we considered cycloalkyl moieties, explored for the increase of the solubility favoring enhanced partition and/ for their self-assembly behaviors resulting the formation of effective stable water-channels with increased water permeability in bilayer membranes. This class of cycloalkyl-ureido-ethyl-imidazole amphiphilic (CxUH) channel could serve as a new reference for the effective design of self-assembled artificial water channels, it may give rise to the applications in desalination or in water treatment.

3.
Magn Reson Chem ; 2024 Sep 24.
Article in English | MEDLINE | ID: mdl-39315940

ABSTRACT

Chirally pure enantiomers of differently protected 7-azatryptophan derivatives (R-3c, S-3c, R-3i, S-3i, R-3m, S-3m, R-3aa, and S-3aa) were synthesized, which showed solvent-dependent optical rotation. The obtained results not only exhibited changes in the values but also showed the variation in sign (- or +) with the different solvents studied. The change in optical rotation value was essentially attributed to the electron-donating property, which can be correlated to the donor number of the solvents. There are two types of hydrogen bonds, intramolecular (i.e., form within the structure) and intermolecular (i.e., form with external groups such as solvents). These hydrogen bonds are responsible for the value and sign variations, and 1H NMR experiments were used to further characterize them. The NMR data suggested that hydrogen bond formation is occurring between the Fmoc NH group vicinal to the chiral center and donor group of the corresponding solvent.

4.
Article in English | MEDLINE | ID: mdl-39303009

ABSTRACT

Structural adhesives are currently applied in the assembly of automobiles, aircraft, and buildings. In particular, epoxy adhesives are widely used due to their excellent mechanical strength and durability. However, cured epoxy resins are typically rigid and inflexible; thus, they have low peel and impact strength. In this study, tough cured epoxy adhesives were developed by mixing a liquid epoxy prepolymer (EP) and polystyrene-b-polyisoprene-b-polystyrene (SIS). SIS is a block polymer-based thermoplastic elastomer (TPE) composed of polystyrene (S) soluble in liquid EP and polyisoprene (I) insoluble in liquid EP, where S and I have a glass transition temperature that is higher and lower than room temperature, respectively. In addition, cured adhesives tougher than the cured adhesives containing SIS were prepared by mixing liquid EP and SIS with hydrogen-bonding groups in the I block (h-SIS). Transmission electron microscopy (TEM) observations revealed mixed S/cured EP domains, with a d-spacing of several tens of nanometers, and cured EP domains, with diameters of one hundred to several hundred nanometers, that were macroscopically dispersed in the I or hydrogen-bonded I matrix of the cured adhesive containing SIS or h-SIS. The lap shear, peel, and impact strength of cured neat EP (EP*) were 23 MPa, 45 N/25 mm, and 0.62 kN/m, respectively. Meanwhile, the cured adhesive containing 16.5 wt % SIS exhibited the slightly lower lap shear strength of 17 MPa compared to that of cured EP*, whereas the peel and impact strength of the cured adhesive with SIS were 61 N/25 mm and 7.1 kN/m, respectively, both higher than those of EP*. Furthermore, the lap shear strength of the cured adhesive containing 15.5 wt % h-SIS was 21 MPa, which was similar to that of cured EP*. The cured adhesive with h-SIS also exhibited an excellent peel strength of 97 N/25 mm and an impact strength of 14 kN/m which was 22 times higher than that of cured EP*. Therefore, mixing liquid EP and SIS improved the cured adhesive properties and flexibility of the cured epoxy adhesives compared to the cured adhesive composed of neat EP, and further enhancement of the adhesive properties was achieved by mixing liquid EP and h-SIS with hydrogen-bonding groups instead of mixing with SIS.

5.
Chemphyschem ; : e202400724, 2024 Sep 20.
Article in English | MEDLINE | ID: mdl-39303062

ABSTRACT

Six isomeric molecules, featuring a minimum of three fluorine atoms on either the benzoyl or aniline side, have been synthesized, crystallized and characterized through single crystal X-ray diffraction (SCXRD). In addition, two other compounds, containing six fluorine atoms, three on each of the benzoyl and aniline side of the benzanilide scaffold have also been characterized through SCXRD. This current study aims to augment the capacity for hydrogen bond formation, specifically involving organic fluorine, by elevating the acidity of the involved hydrogens through the incorporation of highly electronegative fluorine atoms, in the presence of strong N-H×××O=C H-bonds. Lattice energy calculations and assessment of intermolecular interaction energies elucidate the contributions of electrostatics and dispersion forces in crystal packing. The topological analysis of the electron density is characterized by the presence of bond critical points (BCPs) involving C-H×××F and F×××F contacts, thus establishing the bonding nature of these interactions which play a crucial role in the crystal packing in addition to the presence of traditional N-H×××O=C H-bonds.

6.
Spectrochim Acta A Mol Biomol Spectrosc ; 325: 125137, 2024 Sep 15.
Article in English | MEDLINE | ID: mdl-39303337

ABSTRACT

Density functional theory studies of TAAR1 (trace amine associated receptor 1) partial agonist RO5263397 carried out with precise and detailed spectroscopic investigation as well as validated experimentally. FT-IR, confocal Raman and UV-visible spectroscopic techniques were used to characterize the compound and corresponding theoretical calculations were carried out using DFT/B3LYP method with 6-311++G (d,p) basis set. Estimated and observed vibrational wavenumbers of the compound were assigned. UV-visible spectrum and FMOs (frontier molecular orbital) analysis reveals that the polarity affects the molecular reactivity and stability of the compound. Donor - acceptor interaction and second order perturbation energy have been explained using natural bond orbital analysis clarify the presence hydrogen bonds in the system. ELF and LOL studies visualises the localized and delocalized electrons in the title compound. RDG analysis evidences the various interactions present in the monomer and dimer of RO5263397. The structural importance of the compound were clearly examined using NMR spectral analysis. The existence of hydrogen bonding is validated by reactive site findings from Mulliken atomic charge distribution and molecule electrostatic potential surface studies. Information about distinct drug-receptor interactions obtained from molecular docking investigation offers the path of further study of molecular activity in various drug-receptor mechanism.

7.
J Mol Model ; 30(10): 349, 2024 Sep 25.
Article in English | MEDLINE | ID: mdl-39320440

ABSTRACT

CONTEXT: The intermolecular interactions of ethyl acetate (EtOAc)-water (H2O)/ethanol (EtOH) mixtures were investigated using a combination of Raman spectroscopy and quantum chemical calculations. The computational approach was used to analyze the structure of hydrogen-bonded complexes of ethyl acetate with water/ethanol molecules, based on density functional theory (DFT). The calculated frequencies closely matched the experimental Raman values, with differences being under 4%. Experimental data show that when the concentrations of ethyl acetate in the ethyl acetate/water/ethanol solutions were reduced, almost all Raman spectral bands are blue-shifted. The AIM analysis reveals that all the given complexes possess a positive energy density, indicating that the molecules interact electrostatically. The energy and bond length indicate that the methyl group forms relatively weak hydrogen bonds. Analysis indicates that EtOAc forms weak H-bonding C = O∙∙∙H and C-H∙∙∙O, which are recognized as van der Waals interactions. As the amount of ethyl acetate decreases in the complex, the interaction forces also decrease. This could also explain why the bands are blue-shifted. It was discovered that the title complexes' hydrogen bond energy decreased exponentially as bond length increased. METHODS: The geometries of the molecular complexes were optimized using the Gaussian 09W program and the B3LYP/6-311 + + G(d,p) set of functions. The potential energy distribution (PED) analysis was performed using VEDA 4.0 software. Raman spectra were drawn using the Origin 8.5 software. The Multiwfn 3.8 software was used to calculate topological parameters of electron density in molecular systems. GaussView 6.0 and Visual Molecular Dynamics (VMD) 1.9.3 tools were used to visualize all computational results.

8.
Chemistry ; : e202403166, 2024 Sep 23.
Article in English | MEDLINE | ID: mdl-39312624

ABSTRACT

The conformational landscapes of four 1-O-methylated monosaccharides-methyl a-glucose, methyl b-glucose, methyl a-galactose, and methyl b-galactose-were characterized using jet-cooled broadband rotational spectroscopy, supported by density functional theory calculations. A newly designed, simple pulsed nozzle assembly was used to introduced the sugar samples into a jet expansion without thermal degradation, eliminating the need for a complex and expensive laser ablation system. Ten conformers were experimentally identified by assigning their rotational spectra, and the intricate methyl internal rotation splittings were analysed. Notably, methylation alters the directionality of intramolecular hydrogen bonding of a-galactose highlighting its impact on structural preference. Natural bond orbital, intrinsic bond strength, and non-covalent interaction analyses were conducted to explore the interplay between hydrogen bonding and hyperconjugation. A set of σ to σ* neutral hyperconjugative interactions were found to override a strong hydrogen bond, driving a preference for the gauche conformers.

9.
Article in English | MEDLINE | ID: mdl-39312800

ABSTRACT

A novel method for synthesizing and refining high-purity carbon quantum dots (CQDs) using citric acid and diethylenetriamine as precursors is presented, achieved through molecular-level control by exploiting the differences in hydrogen-bonding strength. This process involves precipitation using melamine, extraction into ethanol, and encapsulation with (3-aminopropyl)triethoxysilane (APTES). The resulting APTES-encapsulated CQDs exhibited an enhanced color purity, higher photoluminescence quantum yield, and improved fluorescence stability over a broad pH range. Utilizing these well-defined high-purity CQDs with uniform surface states, it has been revealed that ferric ions are photochemically sensed through the inner filter effect (IFE) mechanism, while mercury ions are detected through the photoinduced electron transfer (PET) mechanism. The versatility of CQDs, coupled with our advanced refinement technology, is expected to contribute significantly to the development of advanced research applications, particularly in displays and sensors.

10.
Chempluschem ; : e202400457, 2024 Sep 22.
Article in English | MEDLINE | ID: mdl-39307838

ABSTRACT

Crystalline ZIF-8 (C-ZIF-8) and amorphous ZIF-8 (Am-ZIF-8) were prepared and investigated to control the germination of Striga hermonthica, a root parasitic plant, which threatens cereal crops production particularly in sub-Saharan Africa. We have demonstrated that Am-ZIF-8 shows a better performance than C-ZIF-8 in inhibiting Striga seed germination. This efficient performance of Am-ZIF-8 materials can be attributed to the incomplete deprotonation of 2 methylimidazole (2MIM) during amorphization, leading to the presence of unsaturated Zn-N coordination with the uncoordinated -NH groups available to undergo hydrogen bonding with the strigolactone analog GR24 forming a more stable Am-ZIF-8···GR24 hydrogen bonded network. We further established that application of ZIF-8 materials generally has no adverse effects on the growth and quality of rice crops.

11.
Adv Mater ; : e2410324, 2024 Sep 23.
Article in English | MEDLINE | ID: mdl-39308311

ABSTRACT

Smart hydrogels have recently garnered significant attention in the fields of actuators, human-machine interaction, and soft robotics. However, when constructing large-scale actuated systems, they usually exhibit limited actuation forces (≈2 kPa) and actuation speeds. Drawing inspiration from hairspring energy conversion mechanism, an elasticity-plasticity-controllable composite hydrogel (PCTA) with robust contraction capabilities is developed. By precisely manipulating intermolecular and intramolecular hydrogen-bonding interactions, the material's elasticity and plasticity can be programmed to facilitate efficient energy storage and release. The proposed mechanism enables rapid generation of high contraction forces (900 kPa) at ultra-high working densities (0.96 MJ m-3). Molecular dynamics simulations reveal that modifications in the number and nature of hydrogen bonds lead to a distinct elastic-plastic transition in hydrogels. Furthermore, the conductive PCTA hydrogel exhibits multimodal sensing capabilities including stretchable strain sensing with a wide sensing range (1-200%), fast response time (180 ms), and excellent linearity of the output signal. Moreover, it demonstrates exceptional temperature and humidity sensing capabilities with high detection accuracy. The strong actuation power and real-time sensory feedback from the composite hydrogels are expected to inspire novel flexible driving materials and intelligent sensing systems.

12.
IUCrdata ; 9(Pt 8): x240826, 2024 Aug.
Article in English | MEDLINE | ID: mdl-39247079

ABSTRACT

In the hydrated title salt, (C10H8NO2)2[SnCl6]·2H2O, the tin(IV) atom is located about a center of inversion. In the crystal structure, the organic cation, the octa-hedral inorganic anion and the water mol-ecule of crystallization inter-act through O-H⋯O, N-H⋯O and O-H⋯Cl hydrogen bonds, supplemented by weak π-π stacking between neighboring cations, and C-Cl⋯π inter-actions.

13.
IUCrdata ; 9(Pt 8): x240742, 2024 Aug.
Article in English | MEDLINE | ID: mdl-39247076

ABSTRACT

Crystals of the title salt, (C8H20N)[Sn(C6H5)3(C2H2O2S)], comprise diisobutyl-ammonium cations and mercapto-acetato-tri-phenyl-stannate(IV) anions. The bidentate binding mode of the mercapto-acetate ligand gives rise to a five-coordinated, ionic tri-phenyl-tin complex with a distorted cis-trigonal-bipyramidal geometry around the tin atom. In the crystal, charge-assisted ammonium-N-H⋯O(carboxyl-ate) hydrogen-bonding connects two cations and two anions into a four-ion aggregate. Two positions were resolved for one of the phenyl rings with the major component having a site occupancy factor of 0.60 (3).

14.
IUCrdata ; 9(Pt 8): x240787, 2024 Aug.
Article in English | MEDLINE | ID: mdl-39247078

ABSTRACT

The title compound, C10H8BrN3OS2, a brominated di-thio-carbazate imine deriv-ative, was obtained from the condensation reaction of S-methyl-dithio-carbazate (SMDTC) and 5-bromo-isatin. The essentially planar mol-ecule exhibits a Z configuration, with the di-thio-carbazate and 5-bromo-isatin fragments located on the same sides of the C=N azomethine bond, which allows for the formation of an intra-molecular N-H⋯Ob (b = bromo-isatin) hydrogen bond generating an S(6) ring motif. In the crystal, adjacent mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming dimers characterized by an R 2 2(8) loop motif. In the extended structure, mol-ecules are linked into a three-dimensional network by C-H⋯S and C-H⋯Br hydrogen bonds, C-Br⋯S halogen bonds and aromatic π-π stacking.

15.
Chemistry ; : e202402833, 2024 Sep 11.
Article in English | MEDLINE | ID: mdl-39259477

ABSTRACT

The overarching goal of this study is to effect the elimination of platinum from adducts with cis -CΞC-Pt-CΞC- linkages, thereby generating novel conjugated polyynes. Thus, the bis(hexatriynyl) complex trans-(p-tol3P)2Pt((CΞC)3H)2 is treated with 1,3-diphosphines R2C(C-H2PPh2)2 to generate (R2C(CH2PPh2)2)2Pt((CΞC)3H)2 (14; R = c, n-Bu; e, p-tolCH2). These con-dense with the diiodide complexes R2C(CH2PPh2)2PtI2 (9a,c) in the presence of CuI (cat.) and excess HNEt2 to give the title macrocycles [(R2C(CH2PPh2)2)Pt(CΞC)3]4 (16c,e) as adducts of the byproduct [H2NEt2]+ I- (30-66%). DOSY NMR experiments establish that this association is maintained in solution, but NaOAc removes the ammonium salt. The bis(triethylsilylpolyynyl) complexes (n-Bu2C(CH2PPh2)2)Pt((CΞC)nSiEt3)2 (n = 2, 3) are synthesized analogously to 14c. They react with I2 at rt to give mainly the diiodide complex 9c and the coupling product Et3Si(CΞCCΞC)nSiEt3. The possibility of competing reactions giving ICΞC species is investigated. Analogous reactions of the Pt4C24 macrocycle 16c also give 9c, but no sp 13C NMR signals or mass spectrometric Cxz+ ions (x = 24-100) could be detected. It is proposed that some cyclo[24]car-bon is generated, but then rapidly converts to other forms of elemental carbon. No cyclotetracosane (C24H48) is detected when this sequence is carried out in the presence of PtO2 and H2.

16.
Environ Res ; 262(Pt 2): 119892, 2024 Aug 31.
Article in English | MEDLINE | ID: mdl-39222729

ABSTRACT

The abuse of amphetamine-type stimulants (ATSs) has caused irreversible harm to public safety and ecosystems. A novel polymerized deep eutectic solvent modified magnetic pomelo peel biochar (PMBC) was prepared, and the differences in adsorption of four abused amphetamine-type stimulants (ATSs: AMP, MAMP, MDA and MDMA) were due to varying hydrogen bonds quantities and strengths. PMBC showed excellent chemical reactivity to MDMA, with a maximum adsorption capacity of 926.13 µg g-1, which was 3.25, 2.52 and 1.15 times higher than that of AMP, MAMP and MDA, respectively. Modern spectral analysis showed that there were a series of active centers (-COOH, -NH2 and -OH) on the PMBC, which could form hydrogen bond networks with the nitrogen and oxygen functional groups of ATSs. In various chemical environments: pH level (4-11), inorganic ion and organic matter (humic acid), PMBC maintained high activity towards four ATSs. Additionally, the quantum chemical calculations revealed that the methylenedioxy bridge of ATSs can increase the active sites, and the -NH- and -NH2 groups had different hydrogen bond formation capabilities, which together resulted in the adsorption order of PMBC on the four ATSs: MDMA > MDA > MAMP > AMP. Moreover, the hydrogen-bonding binding energies of several common hydrogen-bonding types were compared, including O-H····O, N-H····O/O-H····N and N-H···N. This study laid an empirical and theoretical foundation for the efficient capture of ATSs in water and contributed to the innovative design of materials.

17.
Article in English | MEDLINE | ID: mdl-39292614

ABSTRACT

Intramolecular hydrogen bonding (H-bonding) involved in the excited-state proton transfer (ESPT) process results in benzophenone derivatives (BPDs) with an excellent ability to passivate defects. However, the BPDs are in a continuing dynamic transition process between the ground state and the excited state under light radiation conditions. The ground-state BPDs may lose their ability to passivate defects, resulting in an increased defect density of the perovskite. Therefore, enhancing the passivation ability of the ground-state BPDs can help to achieve the full passivation ability of their ground state to excited state. Herein, we have researched the various BPDs by density functional theory and found that intramolecular H-bonding can weaken the passivation ability of ground-state BPDs, but intramolecular H-bonding is indispensable in the ESPT process. To address the issue, we investigated the influence of electron-donor properties and dipole moments of hydroxyl (-OH), methoxy (-OCH3), and n-octyloxy (-OC8H17) groups in BPD molecules on their coordination capacity through molecular design engineering. Ultimately, 2-hydroxy-4-n-octyloxy-benzophenone (UV5) with strong electron-donor n-octyloxy (-OC8H17) and elongated carbon-chain structure was selected as an additive, which enhances the passivate defect capability in both the ground and excited states. As a result, the UV5-based champion device achieved a power conversion efficiency (PCE) of 24.46% and remained at 75% of the initial PCE with exposure to UV light. This work focuses on the defect passivation capability of ground-state BPDs for the first time and opens a new concept for applying BPDs in PSCs.

18.
J Mol Model ; 30(10): 333, 2024 Sep 14.
Article in English | MEDLINE | ID: mdl-39276285

ABSTRACT

CONTEXT: 2,2,2-Trifluoroethanol (TFE) is known as a membrane mimetic solvent. The IR spectrum, 1H NMR spectrum, 13C NMR spin‒lattice relaxation times (T1), and nuclear Overhauser effect (NOE) data are consistent with extensive hydrogen bonding in TFE, but do not lead to structural features of the hydrogen bonding. Hence, DFT computations were carried out. The results predict the existence of a set of H-bonded dimers and trimers. The bond lengths and dihedral angles in these complexes are obtained, together with their dissociation energies. Computations were also performed for the geometry of the two conformers of the isolated monomer. The structure of one of the dimers consists of a 7-member cyclic fragment with a free CF3CH2 side chain. One set of the trimer structures involves the OH of a third monomer H-bonding to one of the F atoms in the CF3 group of the side chain of this dimer, thereby creating three trimer isomers. A fourth trimer cluster is formed from three monomers in which three OH∙∙∙O bonds create a cyclic fragment with three CF3CH2 side chains. The high dissociation energy (with respect to three monomers) indicates the high stability of the trimer complexes. The structural features of the trimer complexes resemble the structure of a conventional liquid crystal molecule and are postulated to resemble the latter in properties and function in solution, but at a much shorter timescale because of the noncovalent bonding. This hydrogen bonding phenomenon of TFE may be related to its function as a membrane memetic solvent. METHODS: Initially, IR and NMR spectroscopic methods were used. Standard procedures were followed. For the computations, a hybrid DFT method with empirical dispersion, ωB97X-D, was used. The basis set, 6-311++G**, is of triple-ζ quality, in which polarization functions and diffuse functions were added for all atoms.

19.
J Colloid Interface Sci ; 678(Pt B): 1061-1072, 2024 Sep 10.
Article in English | MEDLINE | ID: mdl-39276515

ABSTRACT

Breathing and urination, are vital physiological activities of the human body, continuous real-time monitoring of these physiological behaviors could offer timely feedback on an individual's health status. However, current monitoring techniques predominantly rely on cumbersome and intricate medical apparatuses, posing challenges in adapting to the diverse requirements of multi-scenario detection. Consequently, there is a growing interest in developing wearable devices capable of monitoring breathing and urination. In this work, we developed a multifunctional sensor integrating humidity and pressure sensing modes using a simple dip-coating process. By introducing sodium carboxymethyl cellulose and conductive polyaniline hybrid intercalation between MXene layers, a stable conductive network is established through hydrogen bonds and electrostatic interactions among materials. The overall electromechanical properties of the composites will be well improved. And, the effects of different conductive filler ratios and the number of dipping times on the construction of conductive networks are investigated. The multifunctional sensor exhibited improved sensing characteristics, including detecting pressures up to 532 kPa and a sensitivity of 19.58 kPa-1. Furthermore, it also demonstrates good humidity-sensing capabilities. Tests on volunteers demonstrated the potential in the detection of breathing and urination. In addition, the sensors are capable of transmitting Morse code. This interesting application will offer the possibility of normal communication for people with speech impairments. Given its utility and sustainability, the sensor has potential for applications in wearable health monitoring, intelligent life and telemedicine.

20.
J Fluoresc ; 2024 Sep 05.
Article in English | MEDLINE | ID: mdl-39235655

ABSTRACT

Methanol has become a very important part of many industries, ranging from chemical production and pharmaceuticals to automotive and electronics manufacturing as a result of which methanol usage has spiked in recent years. But this exponential increase asks for precise detection methods as methanol has not only detrimental effects on environment but it is very dangerous to human health even if consumed in a minute amount .This paper will explore the unique physical and chemical properties of methanol which can be exploited to make it a target for different mechanisms such as H-Bonding, induced self-assembly, Internal Charge Transfer (ICT), Aggregation-induced emission (AIE), conformational flexibility, keto-enol tautomerization, adsorption etc. by various small molecule and nano-particles. Informative studies on small molecules involves functionalized pentacenequinone derivatives, luminogens, ligands and fluorescent probes which can be used to detect methanol by change in color or intensity which can be easily detected in real time and is portable. On the other hand, nanoparticle-based probes reveal the use of materials like chitosan/zinc, sulfide composites, Quantum Dots (QDs) hybrids, graphene polyoxides, Ag-LaFeO3 etc. which provides with selective and sensitive methanol optical and conductometric sensing. This paper acknowledges the contributions of various studies and researchers who contributed to advancing the field of methanol sensing, providing a foundation for future developments.

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