Spectroscopic Evaluation Research Articles

Bortezomib (BOR)‐Pegylated‐Gold Nanovector: Synthesis, Spectroscopic Evaluation and Diagnostic Tool as Galectin‐1 Biomarker

ABSTRACTIn this paper, we applied an original chemical methodology in which gold salt (HAuCl4) interacts with the chemotherapeutic drug (bortezomib; i.e., BOR) by chelation and then stacked with dicarboxylic acid‐terminated polyethylene‐glycol (PEG‐diacide) as a biocompatible surfactant. The suggested chemical protocol is rapid (“one‐pot”) and reproducible, providing the formation of a hybrid‐nanovector named BOR IN PEG‐AuNPs. In order to prove a therapeutic approach, our hybrid‐nanovector (BOR IN PEG‐AuNPs) interacts with Galectin‐1 (Gal‐1) protein biomarker under specific concentrations. The efficient concentration range of this nanovector is obviously profiled by tumor microenvironment (TME) heterogeneity, optimizing cells access to the interaction region. Considering several influential factors related to spatial mapping and physical profile in all extracellular matrix (ECM), drive a change in neighborhood electrical potential configuration, leading the nanovector response with biomarkers transcriptions, hence, patterning TME leads to promote antitumor immunity in favor of tumor suppression. Each step of chemical synthesis and detection was monitored by spectroscopic techniques (Raman; UV‐Vis spectroscopies) and transmission electron microscopy (TEM). Our study demonstrated that hybrid‐nanoparticle system represents a key to further synergic chemotherapeutic and diagnostic tools for the treatment of cancer.

Antibacterial Efficacy of Tryptophan Coordinated Silver Nanoparticles Against E. coli: Spectroscopic and Microscopic Evaluation of Bacterial Cell Death.

The capability of conventional fluorescence spectroscopy and right-angled synchronous fluorescence spectroscopy (SFS) was evaluated to quantify the antibacterial potential of chemically synthesized Tryptophan coordinated silver nanoparticles (Ag-TrpNPs). Silver nanoparticles have gained significant importance as a material of interest due to their diverse assemblies in the nanoscale range and their potent antibacterial activity. But due to toxicity of silver nanoparticles there is a dire need to coordinate these materials with some biocompatible and biodegradable molecules. The study has been focused on chemical synthesis of functional fluorescence nanomaterials based on Tryptophan molecules coordinated with silver nanoparticles (Ag-TrpNPs). The antibacterial activity of Ag-TrpNPs was assessed in bacteria due to their functional characteristics such as tuneability, biocompatibility, and bioavailability. We employed optical characterization techniques such as Ultraviolet-visible spectroscopy, dynamic light scattering (DLS), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), fluorescence spectroscopy, and confocal microscopy to ensure the particles formation in aqueous suspension. DLS analysis confirmed the hydrodynamic size of the nanoparticles of approximately 100nm. SEM images revealed the spherical morphology and size distribution of the Ag-TrpNPs. Escherichia coli bacterial strains were used to assess the antibacterial efficacy of the Ag-TrpNPs using fluorescence spectroscopy and imaging. Initially, the agar well plate method was employed to evaluate the antimicrobial activity of the Ag-TrpNPs. The significant zones of inhibition of size 37mm at 500µg/mL and 27mm at 15.5µg/mL were reported which indicated the efficiency of Ag-TrpNPs from higher to lower concentration. Conventional and synchronous fluorescence spectra provided evidence of bacterial cell death in aqueous suspensions to ensure the interaction of Ag-TrpNPs with E. coli bacteria at different times and concentrations. SEM was employed to investigate the interaction mechanism between Ag-TrpNPs and bacterial cells. The images revealed cell wall disintegration, leading to the leakage of cellular contents, and eventually cell death occurred.

Fluorescent polymers for environmental monitoring: Targeting pathogens and metal contaminants with naphthalimide derivatives

Monitoring Hg2+ levels in aqueous environments is crucial to assess the potential methylmercury contamination via bacterial conversion, however, existing methods often require extensive sample treatment and expensive equipment. To mitigate this issue, this study examines the synthesis and application of three naphthalimide-based compounds, with significant fluorescent and solvatochromic behavior (C1, C2, and C3). Compounds C1 and C2 demonstrated a strong affinity for Hg2+ metal ions, with C2 showing selectivity and a strong antibacterial profile, particularly against S. aureus (MIC50 (C2) = 0.01 µg/mL). Moreover, these compounds were incorporated into three polymeric matrices, namely polyvinyl chloride (PVC), poly (methyl methacrylate-co-methacrylic acid) (PMMMA), and Starch, allowing for the development of solid-support sensors/surfaces with a strong antibacterial profile, highlighting the inherent dual-functionality of the compounds. Interestingly, the C2-doped Starch biopolymer detected low concentrations of Hg2+ ions, such as 23 nM in tap water (value within the WHO standards for drinking water), through a rapid spectroscopic evaluation without sample treatment. This biopolymer was generated via a sustainable, green-chemistry-oriented, temperature-dependent water/Starch synthetic route, without the addition of plasticizers and any associated ecotoxicity. The study used sustainable methods for environmental monitoring and antibacterial applications, advancing material science to offer effective, accessible, and eco-friendly solutions for detecting and mitigating mercury pollution and bacterial contaminations, enhancing environmental and health safety.

Spectroscopic evaluation of contents present in a therapeutic plant: Cannabis sativa

Spectroscopic evaluation of contents present in a therapeutic plant: Cannabis sativa

Macroscopic sheets of hydrogen boride and their spectroscopic evaluation

Macroscopic sheets of hydrogen boride and their spectroscopic evaluation

Insights on the comparative affinity of ribonucleic acids with plant-based beta carboline alkaloid, harmine: Spectroscopic, calorimetric and computational evaluation

Small molecules as ligands target multifunctional ribonucleic acids (RNA) for therapeutic engagement. This study explores how the anticancer DNA intercalator harmine interacts various motifs of RNAs, including the single-stranded A-form poly (rA), the clover leaf tRNAphe, and the double-stranded A-form poly (rC)-poly (rG). Harmine showed the affinity to the polynucleotides in the order, poly (rA) > tRNAphe > poly (rC)·poly (rG). While no induced circular dichroism change was detected with poly (rC)poly (rG), significant structural alterations of poly (rA) followed by tRNAphe and occurrence of concurrent initiation of optical activity in the attached achiral molecule of alkaloid was reported. At 25 °C, the affinity further showed exothermic and entropy-driven binding. The interaction also highlighted heat capacity (ΔCop) and Gibbs energy contribution from the hydrophobic transfer (ΔGhyd) of binding with harmine. Molecular docking calculations indicated that harmine exhibits higher affinity for poly (rA) compared to tRNAphe and poly (rC)·poly (rG). Subsequent molecular dynamics simulations were conducted to investigate the binding mode and stability of harmine with poly(A), tRNAphe, and poly (rC)·poly (rG). The results revealed that harmine adopts a partial intercalative binding with poly (rA) and tRNAphe, characterized by pronounced stacking forces and stronger binding free energy observed with poly (rA), while a comparatively weaker binding free energy was observed with tRNAphe. In contrast, the stacking forces with poly (rC)·poly (rG) were comparatively less pronounced and adopts a groove binding mode. It was also supported by ferrocyanide quenching analysis. All these findings univocally provide detailed insight into the binding specificity of harmine, to single stranded poly (rA) over other RNA motifs, probably suggesting a self-structure formation in poly (rA) with harmine and its potential as a lead compound for RNA based drug targeting.

Development of Unique Pyrazoline Analogues for Screening Anticancer and Anti-inflammatory Studies

Cancer is a major threat to human society in the world, which results in a maximum probability of death. In the present scenario, chemotherapy is the main cancer treatment, but still, it has its limitations. Hence, cytotoxic and chemotherapy medicines are the main focus of research for medicinal chemists. So, it is the need of the hour to explore the possibility of effective and safe anticancer drugs. The current research involves the synthesis of pyrazoline derivatives (PYR1-PYR8), which are novel cytotoxic agents developed from recently formulated chalcones (CHL1-CHL8). Title compounds were prepared by subjecting the chalcones with by hydrazine hydrate in ethanolic acetic acid. The purified synthesized compounds were characterized by IR, 1H-NMR, and mass spectroscopic evaluation. Using in-vitro models, cytotoxicity evaluations were conducted on cell lines associated with lung cancer by MTT and SRB methods using doxorubicin as standard, which revealed differing levels of cytotoxic effects among the compounds. The egg albumin denaturation and protein denaturation methods were used to access in-vitro anti-inflammatory activity. Compound PYR4 and PYR6 showed significant anti-inflammatory efficacy in relation to diclofenac sodium as the reference drug. Compound PYR3, PYR4, and PYR6 displayed noteworthy anticancer activity matched to doxorubicin, which is a reference drug. The current research asserts that the newly developed pyrazoline derivatives exhibit high levels of cytotoxicity and anti-inflammatory effects. However, their preclinical and clinical significance needs a thorough evaluation.

Empirical line ratios for optical emission spectroscopy in low-temperature, low-density, magnetised Ar plasmas

Spectroscopic evaluation of electron temperature and density in low-temperature, low-density, magnetized plasmas can be difficult, but necessary in situations where chemical erosion and physical sputtering prevent the use of other diagnostics, such as Langmuir probes (LP). Further, in such cases, because of the low densities and temperatures, the vessel and environment involved, theoretical line ratios derived from Collisional-Radiative models may not be easily applicable. This is the case, for example, of low-temperature (<15 eV), low-density (<1011 cm−3), magnetised plasma used for plasma-material interaction studies where chemical erosion and physical sputtering can be significant. The aim of the present work is to define an empirical line ratio (ELR) method derived from an extensive calibration campaign with the two diagnostics, using LP measurements as a reference. The ELR method is useful to permit the use of optical emission spectroscopy independent of LP in conditions that are critical for the latter, resulting in an effective instrument for the evaluation of plasma parameters. Further, the use of two different lines of sight and the influence of the magnetic field intensity on the measurements are also discussed. The proposed ELR method is demonstrated here for pure Ar linear plasmas and is in principle applicable also to other similar cases.

Multivariate Analysis of Solubility Parameters for Drug-Polymer Miscibility Assessment in Preparing Raloxifene Hydrochloride Amorphous Solid Dispersions.

The success of obtaining solid dispersions for solubility improvement invariably depends on the miscibility of the drug and polymeric carriers. This study aimed to categorize and select polymeric carriers via the classical group contribution method using the multivariate analysis of the calculated solubility parameter of RX-HCl. The total, partial, and derivate parameters for RX-HCl were calculated. The data were compared with the results of excipients (N = 36), and a hierarchical clustering analysis was further performed. Solid dispersions of selected polymers in different drug loads were produced using solvent casting and characterized via X-ray diffraction, infrared spectroscopy and scanning electron microscopy. RX-HCl presented a Hansen solubility parameter (HSP) of 23.52 MPa1/2. The exploratory analysis of HSP and relative energy difference (RED) elicited a classification for miscible (n = 11), partially miscible (n = 15), and immiscible (n = 10) combinations. The experimental validation followed by a principal component regression exhibited a significant correlation between the crystallinity reduction and calculated parameters, whereas the spectroscopic evaluation highlighted the hydrogen-bonding contribution towards amorphization. The systematic approach presented a high discrimination ability, contributing to optimal excipient selection for the obtention of solid solutions of RX-HCl.

Spectroscopic evaluation of gold nanoparticles-embedded Dy3+-doped Li2CO3–SrO–ZnO–B2O3 glasses: white solid-state lighting potential

Spectroscopic evaluation of gold nanoparticles-embedded Dy3+-doped Li2CO3–SrO–ZnO–B2O3 glasses: white solid-state lighting potential

A Spectroscopic and Computational Evaluation of Uranyl Oxo Engagement with Transition Metal Cations.

We report the synthesis and characterization of five novel Cd2+/UO22+ heterometallic complexes that feature Cd-oxo distances ranging from 78 to 171% of the sum of the van der Waals radii for these atoms. This work marks an extension of our previously reported Pb2+/UO22+ and Ag+/UO22+ complexes, yet with much more pronounced structural and spectroscopic effects resulting from Cd-oxo interactions. We observe a major shift in the U═O symmetric stretch and significant uranyl bond length asymmetry. The ρbcp values calculated using Quantum Theory of Atoms in Molecules (QTAIM) support the asymmetry displayed in the structural data and indicate a decrease in covalent character in U═O bonds with close Cd-oxo contacts, more so than in related compounds containing Pb2+ and Ag+. Second-order perturbation theory (SOPT) analysis reveals that O spx → Cd s is the most significant orbital overlap and U═O bonding and antibonding orbitals also contribute to the interaction (U═O σ/π → Cd d and Cd s → U═O σ/π*). The overall stabilization energies for these interactions were lower than those in previously reported Pb2+ cations, yet larger than related Ag+ compounds. Analysis of the equatorial coordination sphere of the Cd2+/UO22+ compounds (along with Pb2+/UO22+ complexes) reveals that 7-coordinate uranium favors closer, stronger Mn+-oxo contacts. These results indicate that U═O bond strength tuning is possible with judicious choice of metal cations for oxo interactions and equatorial ligand coordination.

A prospective observational role of magnetic resonance imaging and magnetic resonance spectroscopy in evaluation of choline levels in gall bladder carcinoma in tertiary care hospital in central India

Background Gall bladder carcinoma (GBC) is a challenging malignancy characterized by late-stage diagnosis and poor prognosis. Early detection and accurate staging are crucial for improving patient outcomes. Magnetic resonance imaging (MRI) and magnetic resonance spectroscopy (MRS) offer non-invasive imaging modalities that may aid in the evaluation of GBC. Choline, a metabolite detected by MRS, has been implicated in tumor growth and may serve as a potential biomarker for GBC. This study aims to investigate the role of MRI and MRS in evaluating choline levels as biomarkers for GBC. Method A prospective observational study will be conducted involving patients with suspected or confirmed GBC referred to the Department of Radiology, AVBRH, Sawangi. Patients meeting inclusion criteria will undergo MRI scans and MRS examinations to assess tumor characteristics and choline levels. Data collected will include MRI images, MRS spectra, histopathological results, and clinical outcomes. Statistical analysis will be performed to examine correlations between MRI findings, choline levels, and histopathological characteristics. Expected Outcome It is anticipated that MRI and MRS will demonstrate utility in evaluating choline levels as imaging biomarkers for GBC. Correlations between choline levels, tumor characteristics, and clinical outcomes are expected to provide valuable insights into the role of choline in GBC pathogenesis and prognosis. If successful, MRI and MRS could serve as non-invasive tools for early detection, staging, and treatment response monitoring in GBC, ultimately leading to improved patient outcomes and management strategies.

Intraoperative spectroscopic evaluation of sentinel lymph nodes in breast cancer surgery

Background and objectivesSentinel lymph node (SLN) biopsy is a standard procedure for patients with breast cancer and normal axilla on imaging. Positive SLNs on histological examination can lead to a subsequent surgery for axillary lymph node clearance (ALNC). Here we report a non-destructive technique based on autofluorescence (AF) imaging and Raman spectroscopy for intra-operative assessment of SLNs excised in breast cancer surgery.MethodsA microscope integrating AF imaging and Raman spectroscopy modules was built to allow scanning of lymph node biopsy samples. During AF-Raman measurements, AF imaging determined optimal sampling locations for Raman spectroscopy measurements. After optimisation of the AF image analysis and training of classification models based on data from 85 samples, the AF-Raman technique was tested on an independent set of 81 lymph nodes comprising 58 fixed and 23 fresh specimens. The sensitivity and specificity of AF-Raman were calculated using post-operative histology as a standard of reference.ResultsThe independent test set contained 66 negative lymph nodes and 15 positive lymph nodes according to the reference standard, collected from 78 patients. For this set of specimens, the area under the receiver operating characteristic (ROC) curve for the AF-Raman technique was 0.93 [0.83–0.98]. AF-Raman was then operated in a regime that maximised detection specificity, producing a 94% detection accuracy: 80% sensitivity and 97% specificity. The main confounders for SLN metastasis were areas rich in histiocytes clusters, for which only few Raman spectra had been included in the training dataset.DiscussionThis preliminary study indicates that with further development and extension of the training dataset by inclusion of additional Raman spectra of histiocytes clusters and capsule, the AF-Raman may become a promising technique for intra-operative assessment of SLNs. Intra-operative detection of positive biopsies could avoid second surgery for axillary clearance.

Size and Shape Selective Classification of Nanoparticles

As nanoparticle syntheses on a large scale usually yield products with broad size and shape distributions, the properties of nanoparticle-based products need to be tuned after synthesis by narrowing the size and shape distributions or via the removal of undesired fractions. The development of property-selective classification processes requires a universal framework for the quantitative evaluation of multi-dimensional particle fractionation processes. This framework must be applicable to any property and any particle classification process. We extended the well-known one-dimensional methodology commonly used for describing particle size distributions and fractionation processes to the multi-dimensional case to account for the higher complexity of the property distribution and separation functions. In particular, multi-dimensional lognormal distributions are introduced and applied to diameter and length distributions of gold nanorods. The fractionation of nanorods via centrifugation and by orthogonal centrifugal and electric forces is modeled. Moreover, we demonstrate that analytical ultracentrifugation with a multi-wavelength detector (MWL-AUC) is a fast and very accurate method for the measurement of two-dimensional particle size distributions in suspension. The MWL-AUC method is widely applicable to any class of nanoparticles with size-, shape- or composition-dependent optical properties. In addition, we obtained distributions of the lateral diameter and the number of layers of molybdenum disulfide nanosheets via stepwise centrifugation and spectroscopic evaluation of the size fractions.

Investigation of Earth-Abundant Metal Salts for the Inhibition of Asphalt-Derived Volatile Organic Compounds.

Asphalt is used globally in construction for roads, pavements, and buildings; however, as a fossil-derived material, it is known to generate volatile organic compounds (VOCs) upon exposure to heat and light that can be harmful to human health. Several heterogeneous strategies have been reported for the inhibition of these VOCs; however, the direct use of inexpensive, accessible Earth-Abundant metals has not been extensively explored. In this study, simple metal salts are examined for their coordination capability toward asphalt-derived VOCs. From UV-visible (UV-vis) spectroscopic studies, FeCl3 emerged relative to other metal salts (metal = Mn, Co, Ni, Cu, Zn) as a promising candidate for the adsorption and retention of Lewis basic compounds. Coordination of an example oxygen-containing VOC, benzofuran (Bf), to Fe yielded a paramagnetic semi-octahedral complex Fe(Bf)3Cl3. Evaluation by thermal gravimetric analysis (TGA) coupled to infrared spectroscopy (IR) demonstrated that the complex was stable up to 360 °C. Spectroscopic evaluation demonstrated the stability of the complex upon visible light irradiation and in the presence of a variety of organic pollutants. The potential application of Fe was demonstrated by subjecting biochar to FeCl3 followed by the addition of Bf. It was discovered that this Fe-rich biochar was successful at adsorbing Bf suggesting the possibility of introducing Fe to biochar late-stage in processing to deter asphalt degradation and VOC emissions. An understanding of the binding and stability of Fe salts to VOCs provides insight into how a sustainable infrastructure can be achieved.

TiO2 nanoparticles as reusable catalysts for the efficient synthesis of 2, 4, 5-trisubstituted-1H-imidazoles

A simple, highly efficient and eco-friendly protocol for the synthesis of 2,4,5-trisubstituted-1H-imidazoles via one-pot three component condensation of benzil, aldehydes and ammonium acetate under solvent-free conditions has been achieved utilizing TiO2. The applicability of this procedure was investigated further in relation to the synthesis of fused imidazoles that exhibit structural versatility. The remarkable features of this methodology are excellent yields in shorter reaction times, cleaner reaction profile, and environmentally benign nature, use of non-toxic, readily synthesizable, inexpensive and recyclable catalyst. The titled compounds can be confirmed advanced spectroscopic evaluation by 1HNMR, 13CNMR and LCMS. The synthesis of green nanoparticles utilizing green protocols is a very good, safe, effective, and environmentally friendly technique in Nano science research. These are employed in many scientific fields. These are used in the catalysis

Performance assessment of spectroscopic measurements of hydrogen and beryllium influxes and ionization fronts in ITER divertor plasmas using the divertor impurity monitor

Characteristics of Hα and Be II emissions in ITER divertor plasmas have been evaluated, and the applicability of a spectroscopic evaluation method of influxes and ionization front positions by using the divertor impurity monitor (DIM) has been systematically verified for the first time based on plasma profile datasets with parameter scans. In addition, practical values of the ionization/photon factor (S/XB) for DIM to evaluate influxes have been determined. In attached divertor plasmas and the onset of plasma detachment, H influx integrated over the entire area of the divertor can be evaluated within ±30 % accuracy using Hα intensities measured by the DIM and S/XB value of 32, which is higher than the S/XB in most divertor plasmas in previous devices owing to high electron density. The ionization front position can also be evaluated to within a few mm by using peak channel position. However, when electron temperature further decreases from the detachment onset, the ionizing plasma component (caused by electron impact excitation) in the total Hα emission decreases and the spatial profiles of emission and ionization diverge, making spectroscopic evaluation difficult. In all conditions, Hα intensities could be measured with a more than sufficient number of photons at the required time resolution using the current DIM design. For Be influx integrated over the entire divertor area, it has been found that Be I is not suitable for the DIM since its intensity is similar to the background continuous spectra. Replacing Be I with Be II solves this problem. Even in detached divertor plasmas, it is possible to evaluate Be1+ ionization flux within ±30 % accuracy using Be II intensities and S/XB, the value of which depends on the DIM’s fields of view. However, the evaluated Be1+ ionization flux is lower than Be influx by more than 80 %, meaning that the evaluation of Be influx using Be II would be an underestimate. But, Be II can be measured with a more than sufficient number of photons.

Spectroscopic evaluation of sesame and mustard oils treated with Murchana method

In recent years, there has been a growing interest in traditional medicinal practices such as Ayurveda, which emphasizes the use of natural ingredients for various therapeutic purposes. Vegetable oils are an integral part of our diet and have several applications in the cosmetics and healthcare industries. These oils have also been prescribed in ancient Ayurveda texts to treat various health problems. Ayurveda prescribes a processing technique called ‘Murchana’ to improve the therapeutic nature of the oils. Spectroscopic techniques have been used for quality assessment in many fields. High sensitivity and a low detection rate make spectroscopy a formidable analytical technique. This study focusses on the spectroscopic analysis of sesame and mustard oils prepared using the ayurvedic processing method ‘Murchana’. Spectroscopic analysis techniques including UV-Vis absorbance spectroscopy, fluorescence spectroscopy, and FTIR spectroscopy were employed to study the oils. Origin software was used to plot graphs of the spectra. The results indicated that the murchana process may reduce the components of the oil responsible for its oxidation, thereby increasing the shelf life of the oils. However, further investigations, including other spectroscopy and chromatography techniques, will prove beneficial in ascertaining the effects of the murchana process on vegetable oils. The study’s findings also suggest that spectroscopic techniques can be used to supplement chemical techniques to investigate the characteristics of vegetable oils.

Raman spectroscopic evaluation of structural-phase state of titanium and zirconium pseudo-single crystals deformed in Bridgman anvils

A complex study of the microstructure of titanium and zirconium pseudo-single crystals subjected to severe plastic deformation in Bridgman anvils under a pressure of 8 GPa at a temperature of 80 K has been carried out. Raman spectra of the samples deformed to different degrees show a two-phase α + ω state, which indicates the realization of the pressure-induced transition during deformation process with the retention of the ω-phase in the structure of both metals after the load removal. The quantitative ratio of α- and ω- phases in the structure of deformed metals and its change with increasing degree of deformation has been analyzed.Correlation of Raman spectroscopy results with experimental data of X-ray diffraction analysis, electron microscopic analysis, as well as literature data of calorimetry and calculated thermodynamic data by DFT method on kinetics of the reverse ω → α transformation demonstrates the efficiency of Raman spectroscopy method for estimation of the phase composition of pure metals, which experienced phase transition under loading.

Constrained and Open Mesoporosity in Polypropylene Cracking: Insight From Spectroscopic Investigations of Acidity, Diffusion, and Activity.

The outcome of the demetalation process of zeolites depends on applied treatment conditions and can lead to the formation of either open or constrained mesopores. The quaternary ammonium cations as pore-directing agents during desilication are responsible for developing constrained mesoporosity with bottleneck entrances. However, higher mesopore surface area and higher accessibility of acid sites are often found for the hierarchical zeolites with constrained mesopores. This is followed by better catalytic activity in the cracking of vacuum gas oil and polymers. For desilication with pure NaOH, a realumination process is observed and an additional acid-wash step is required to reach their full catalytic potential. Thus, this study aims to analyze the acidic and catalytic properties of hierarchical ZSM-5 zeolites of different mesoporosity types employing in situ and operando FT-IR spectroscopic evaluation of polypropylene cracking. The suitability of constrained mesoporosity is studied by assessing the neopentane diffusion in kinetic adsorption, Monte Carlo calculations, and rapid scan FT-IR spectroscopic measurement analyzed by Crank solution for diffusion. The FT-IR spectroscopic results of in situ and operando studies are supported by two-dimensional correlation analysis, allowing to establish the direction of changes seen on spectra and their order.