Can confocal fluorescence microscopy with a drug-specific and a polymer-specific dye show water-induced phase separation in miconazole–PVPVA dispersions, and does the structure differ when water enters during preparation, storage or dissolution?
Yes, for this one 50:50 system: prodan marked drug-rich and R6G polymer-rich regions, matching AFM-IR and stiffness maps of parallel dye-free films. ···· Films cast at 20% RH were uniform; casting at 45–60% RH or one week at 75% RH gave drug-rich droplets in a polymer matrix, and buffer gave a coarse, connected pattern within 30 min. ····
For 50:50 w/w miconazole–PVPVA, the authors conclude that the two components are not inherently immiscible ("do not appear to be"): films cast at 20% RH and the dry powder (one Tg, 26 °C) were one phase, and the powder stayed one phase after 60 min at 100 °C, which they read as "mobility is not the sole criterion". ····· Water, an antisolvent for miconazole, induces the separation, and they argue that it does so by changing the thermodynamics of the mixture (the "delta chi effect") rather than only by raising mobility. · The route of water entry shapes the structure: drug-rich droplets in a polymer-rich matrix after humid casting or storage, which "may" form by nucleation and growth, and a much coarser, bicontinuous pattern after buffer immersion, in which the drug-rich regions stand higher, "most likely" because the polymer-rich phase dissolves faster. ···· They present two-dye confocal microscopy as a fast (under 1 min per sample) and "promising" tool with a theoretical resolution of about 150 nm, and suggest that phase behaviour during dissolution "may well" matter for drug release. ·· Not measured here: the water content of the films, any thermodynamic quantity and drug release; and the dye-stained domains were identified by matching them to AFM data from separate, dye-free films. ·
01Why this study
Drug-rich domains lose the polymer's protection against crystallization, and amorphous–amorphous phase separation (AAPS) can come before crystallization.
Alonzo 2010, ref 2; Rumondor 2009b, ref 38 ·
AAPS has been seen during manufacture, from moisture during storage and with bulk water during dissolution, within seconds in some systems.
DSC can remix domains on heating and misses domains below about 30 nm; AFM and electron microscopy cannot tell drug from polymer.
Qian 2010, ref 35; Newman 2008, ref 29
It is promising but unoptimised; a second, polymer-specific dye had only just been tried.
Spray-dried dispersions above 20% drug separated, melt-extruded ones did not, and compression could remix them.
Singh 2014, ref 44; Singh 2015, ref 43 ·
More detail
This journal cites by author and year; ref N below is the entry's position in the printed, alphabetical reference list (55 entries).
What was already known. The introduction and discussion build on these points:
- Homogeneity is the premise of an ASD. ASDs work because the amorphous drug is molecularly dispersed in a polymer (Leuner and Dressman 2000, ref 22; Newman 2012, ref 30). If drug-rich and drug-lean domains form, the polymer can no longer inhibit crystallization, which hurts both stability and dissolution (Alonzo 2010, ref 2; Ilevbare 2012, ref 13; Konno and Taylor 2006, ref 18). ·
- AAPS comes before crystallization. In AAPS both drug and polymer stay amorphous, but the drug-rich phase has less polymer and crystallizes more readily (Rumondor 2009b, ref 38); crystallization then removes the solubility advantage (Yu 2001, ref 55).
- Water at three stages. AAPS has been reported during manufacturing (Qian 2010, ref 35), from moisture absorbed in storage (Marsac 2010, ref 27; Rumondor 2009b, ref 38) and in bulk water during dissolution (Purohit and Taylor 2015b, ref 34). Some drug–polymer systems separate readily at high RH, others are stable (Rumondor 2011, ref 39; Rumondor 2009c, ref 40; Rumondor and Taylor 2010, ref 41; Vasanthavada 2005, ref 51), and separation can occur within seconds during hydration (ref 34). Water in the processing solvent can demix drug and polymer during ASD formation because water is an antisolvent for the drug (Li 2017, ref 23); in polymer blends, an antisolvent for one polymer likewise causes phase separation (Hellmann 1991, ref 12; Pouchlý and Patterson 1976, ref 31; Robard 1977, ref 36). These studies used different systems, so water entering at different stages had not been compared in one system. ·····
- Detection is hard. DSC can miss AAPS because domains may remix during heating (Qian 2010, ref 35) and because it fails below about 30 nm (Newman 2008, ref 29); XRD suits long-range order; AFM and electron microscopy resolve nanometres but lack chemical specificity (Karavas 2007, ref 15; Lauer 2013, ref 20); IR and Raman detect drug–polymer interactions but are hard to interpret (Keratichewanun 2015, ref 16; Rumondor 2009a, ref 37). AFM-IR, with a lateral resolution of about 100 nm (Harrison 2013, ref 11), and Lorentz contact resonance had been used for telaprevir–polymer miscibility (Li and Taylor 2016, ref 24). ·
- Fluorescence methods. Steady-state fluorescence and fluorescence microscopy were emerging miscibility tools (Li and Taylor 2016, ref 24; Purohit and Taylor 2015a, b, refs 33, 34; Tian 2016, ref 47), using autofluorescent drugs or environment-sensitive probes. Most work stained only the drug-rich phase with a hydrophobic dye; biologists routinely use several dyes, and this had just been shown to work for drug–polymer systems because the polymer is usually the more hydrophilic component (Purohit 2017, ref 32).
- The model system. Miconazole–PVPVA miscibility varies with how the ASD is made and stressed: spray-dried dispersions above 20% drug separated (Singh 2014, ref 44), melt-extruded ones mixed better and showed one Tg (Singh 2015, ref 43), compression could remix separated material (refs 43, 44), and spray-drying conditions mattered (Worku 2014, ref 54). ·
What the paper set out to do. First, to test confocal fluorescence microscopy with dyes of different affinity for drug and polymer as a miscibility tool. Second, to follow how the microstructure of 50:50 miconazole–PVPVA films develops when water induces AAPS during preparation, during storage at high RH and during dissolution. The working hypothesis was that a hydrophobic dye would partition into the drug-rich phase and a hydrophilic dye into the polymer-rich phase, giving both phases contrast at once; AFM-IR and LCR were to check the assignment.
02How they approached it
One composition (50:50 w/w miconazole:PVPVA), three ways for water to get in (humid casting, 75% RH storage, buffer immersion), two dyes imaged by confocal microscopy, and AFM-based IR and stiffness mapping on parallel dye-free films to identify the phases; DSC on powders adds glass transitions. ····
What was done
Eight dyes, one per humid-cast film→which phase each stains, photobleaching, available laser lines→prodan and R6G chosen.·
Films cast at 20% or 45–60% RH→AFM topography, nano-IR spectra and maps at 1590 and 1679 cm⁻¹.···
LCR stiffness spectra and maps at 113.8 and 112.6 kHz.··
Confocal imaging with prodan and R6G.··
Dry-cast films at 75% RH for 1–28 days→confocal imaging; AFM-IR at 1 week.··
Dry-cast films in pH 6.8 buffer for 5–30 min, dried→confocal imaging; AFM-IR at 30 min.·
Powder DSC: dry, after 75% and 100% RH, after 60 min at 100 °C.····
Confocal phase assignment against AFM-IR and LCR; structure across the three water routes.··
More detail
What was done
- Films. Pure miconazole, pure PVPVA and 50:50 w/w blends were dissolved at 50 mg/mL in methanol:dichloromethane (50:50 v/v) and spin-coated (500 rpm for 6 s, then 3,000 rpm for 30 s). One set of solutions had no dye (for AFM, 15 µL on ZnS; bulk IR, 50 µL on KRS-5); the other carried each dye at 0.01% w/v (100 µg/mL; 100 µL on quartz). "Low RH" films were cast in a nitrogen-purged glove box at 20% RH, "high RH" films in the laboratory at a recorded 45–60% RH; all were vacuum-dried overnight and were about 300 nm thick. ··
- Dye screening. Each dye was added alone to a humid-cast film; its location (discrete or continuous phase) was seen by wide-field fluorescence, and photobleaching was judged from three consecutive 500 ms exposures. Laser lines and filters of the confocal microscope, spectral separation of the pair and cost were also weighed. ·
- AFM-based checks. Topography was recorded in contact mode over 5 × 5 µm (casting), 10 × 10 µm (storage) and 50 × 50 µm (immersion). Nano-IR spectra (1200–1800 cm⁻¹) and chemical maps at 1590 cm⁻¹ (miconazole) and 1679 cm⁻¹ (PVPVA) located each component; bulk FTIR of the pure films served as reference. LCR swept 1–1000 kHz on the pure films and then mapped stiffness at their first flexural resonances. ···
- Confocal imaging. Nikon A1, 60× oil objective (NA 1.49); prodan excited at 407 nm (emission 425–475 nm), R6G at 561 nm (570–620 nm); 1024 × 1024 pixels; some images contrast-adjusted without clipping.
- Storage. Dry-cast films were kept at 75% RH (saturated NaCl) at room temperature and examined after 1, 2, 3, 7 and 28 days.
- Immersion. Dry-cast films were immersed in pH 6.8, 100 mM phosphate buffer for 5, 10, 20 and 30 min, rapidly dried and imaged; AFM and AFM-IR only at 30 min.
- Powders and DSC. A 50:50 powder was made by rotary evaporation (45 °C bath), vacuum-dried, and equilibrated at 75 or 100% RH in a vapour sorption analyser at 25 °C (at most 180 min). Modulated DSC (2 °C/min, −40 to 120 °C, hermetic pans) gave midpoint Tgs; one dry sample was first held at 100 °C for 60 min. ··
Key equations
The smallest discrete domain a light microscope can resolve is about half the wavelength divided by the numerical aperture. The authors quote about 150 nm for prodan excitation (407 nm) and NA 1.49; these inputs give about 137 nm.·
Terms used on this page
- AAPS (amorphous–amorphous phase separation): drug and polymer demix into a drug-rich and a polymer-rich phase while both stay amorphous.
- CFM (confocal fluorescence microscopy): a light microscope that images one focal plane; each dye is excited by its own laser and read in its own colour channel (here blue for prodan, red for R6G).
- AFM-IR (nano-IR): an AFM tip senses the tiny thermal expansion when a tuned IR laser hits an absorption band, giving local IR spectra and maps at about 100 nm resolution.
- LCR (Lorentz contact resonance): the AFM cantilever is shaken by a magnetic force; its contact resonance frequency depends on the stiffness under the tip, so driving at one material's resonance makes regions of that material bright.
- First flexural resonance: the first large peak of the cantilever's mechanical spectrum, the one most sensitive to stiffness.
- Photobleaching: loss of a dye's fluorescence under repeated illumination.
- Bicontinuous: both phases form connected networks, rather than one forming droplets in the other.
- Nucleation and growth: the new phase appears as separate droplets that grow in the surrounding matrix.
- Delta chi effect: adding a third component (here water) changes the effective drug–polymer interaction (χ) and can make a miscible pair separate.
03Main findings
Water during casting decides whether the film is one phase or two
Cast at 20% RH, the 50:50 film was smooth and gave the same IR spectrum at five points. Cast at 60% RH, it formed circular pits 200–400 nm deep, richer in the 1590 cm⁻¹ drug band, inside a continuous phase richer in the 1679 cm⁻¹ PVPVA band. ···
More detail
Pure miconazole and PVPVA films were smooth, and their nano-IR spectra each gave a marker peak: 1590 cm⁻¹ for miconazole (aromatic ring stretch) and 1679 cm⁻¹ for PVPVA (pyrrolidone carbonyl), the same peaks as in bulk FTIR ("good agreement"). ····
The film cast at 20% RH had a flat topography (±20 nm colour range), and spectra from five points across it overlapped. The authors read this as a miscible film at the about 100 nm resolution of nano-IR ("suggest"; abstract: "confirmed"). ··
The film cast at 60% RH had discrete, circular pits, about 0.3–0.7 µm across in the 5 µm field and 200–400 nm deep, set in a continuous phase. Both phases showed both marker peaks, which the authors attribute to partial miscibility and/or spectral mixing through the film depth or between close domains. After normalising, the 1590 cm⁻¹ peak was relatively higher in the discrete phase and the 1679 cm⁻¹ peak in the continuous phase ("This indicates" drug-rich domains in a PVPVA-rich matrix). ····
AFM-IR maps of a 60% RH film agreed: the pits absorbed more at 1590 cm⁻¹ and less at 1679 cm⁻¹ (Fig. 6, cited in the text as Fig. 8). ··
LCR gave the same picture through stiffness. PVPVA's first flexural resonance lay slightly below miconazole's (112.6 versus 113.8 kHz), read as PVPVA being softer. In a film cast at 45% RH, discrete spots of ≈0.2–0.5 µm were lighter in the 113.8 kHz map and darker in the 112.6 kHz map ("further support"). ····
Hydrophobic dyes stain the drug-rich phase, charged dyes the polymer-rich phase
Of eight dyes, prodan, pyrene, nile red and also the three fluorescein dyes stained the drug-rich domains; cationic R6G and anionic Alexa Fluor 488 stained the polymer-rich phase. Prodan and R6G did not photobleach and were chosen. ··
More detail
Each dye was added alone to a humid-cast 50:50 film (Table 1). The relatively hydrophobic dyes prodan, pyrene and nile red stained the discrete, drug-rich domains. Fluorescein, FITC and 5-DTAF did so too, "somewhat surprisingly", since their ionizable carboxylate makes them relatively hydrophilic; the authors suggest an interaction between acidic fluorescein and weakly basic miconazole ("may arise"). The charged dyes R6G and Alexa Fluor 488 stained the continuous, polymer-rich phase. ··
Pyrene, nile red and the three fluorescein dyes photobleached, and pyrene (excitation maximum 350 nm) had no matching laser line. Looking for a pair whose excitation and emission do not overlap, and considering cost, the authors took prodan (407 nm excitation, 425–475 nm emission) and R6G (561 nm, 570–620 nm). ····
The authors present the outcome as classical staining, a hydrophobic dye for the hydrophobic phase and a hydrophilic one for the hydrophilic phase, which "worked well" here.
With prodan and R6G, confocal images show the same contrast as AFM-IR
The film cast at 20% RH fluoresced evenly in both channels. The film cast at 60% RH showed blue, prodan-stained droplets, from below 1 µm to about 15 µm, in a red, R6G-stained continuous phase. ·
More detail
In the 20% RH film both dyes spread evenly: blue at 407 nm, red at 561 nm, purple when combined. The authors take this as even dye distribution with independent read-out of each dye, and the caption as confirming miscibility. ·
In the 60% RH film the dyes separated sharply ("remarkably different affinities"): approximately circular blue domains sat in a red continuous phase. ·
The domains in this confocal image reach ≈15 µm by the scale bar, larger than the "submicron to few microns" given in the discussion and much larger than the AFM pits, so the size depends on the film and the field imaged. ···
The dyed films and the dye-free AFM films were cast separately (quartz versus ZnS, 100 versus 15 µL); the phase identity in the confocal images rests on matching the two. ·
A week at 75% RH separates a miscible film into drug-rich droplets
A dry-cast film stored at 75% RH showed drug-rich domains of about 1–3 µm in a polymer-rich matrix after 7 days, by confocal imaging and AFM-IR, with no further change up to 4 weeks. The 50:50 powder had two Tgs after 75% RH (10 and 48 °C) against one (26 °C) when dry. ···
More detail
Films cast at 20% RH were stored at 75% RH and room temperature and checked after 1, 2, 3, 7 and 28 days. Separation is reported at 7 days and no change after that up to 4 weeks; the earlier days are not reported. ··
Confocal images showed blue, drug-rich domains of ≈1–3 µm in a red continuous phase. AFM showed pits of ≈1.5–3 µm in a 10 µm field that absorbed more at 1590 cm⁻¹ and less at 1679 cm⁻¹. As after humid casting, drug-rich domains sat in a polymer-rich continuous phase. ··
The dry 50:50 powder had a single Tg of 26 °C, between those of miconazole (0 °C) and PVPVA (107 °C), "consistent with" one phase. After equilibration at 75% RH (25 °C) it showed two Tg events, at 10 and 48 °C, "suggesting" drug-rich and polymer-rich phases. The powder's water content is not given. ······
The authors take the storage result as further evidence that water induces the separation and that the dry binary does "not appear to be inherently immiscible".
In buffer the film separates within minutes into a coarse, connected structure
After 5 min in pH 6.8 buffer, polymer-rich domains of about 4–8 µm sat in a drug-rich matrix. By 30 min the two phases formed an interconnected pattern on a 10–25 µm scale, with the drug-rich regions standing higher. ··
More detail
Dry-cast films were immersed for 5, 10, 20 and 30 min, dried quickly and imaged; images for 5, 20 and 30 min are shown. ··
At 5 min the R6G channel showed bright discrete domains of ≈4–8 µm in a prodan-stained matrix, so the polymer at first "appears" to form the discrete phase. At 20 min large prodan-stained regions, tens of µm across and holding small R6G-bright inclusions, were separated by R6G-stained continuous regions. At 30 min prodan-stained domains of ≈10–25 µm were separated by an interconnected R6G network, which the authors describe as "more bi-continuous". ·
AFM at 30 min showed a bicontinuous pattern of higher and lower regions ≈5–15 µm wide (±20 nm colour range). AFM-IR showed the higher regions absorbing more at 1590 cm⁻¹ and less at 1679 cm⁻¹, identifying them as drug-rich ("confirmed"). ··
The authors explain the height difference by faster dissolution of the polymer-rich phase ("most likely") and note that immersed films are much coarser than humid-stored ones. ·
The 50:50 powder equilibrated at 100% RH had two Tg events, at −5 and 68 °C, "presumably" the drug-rich and polymer-rich phases. ·
The Fig. 13 caption repeats the wording of the earlier captions (drug-rich discrete phase) and matches neither the images nor the text.
Heat alone does not separate the dry dispersion
The dry 50:50 powder kept a single Tg after 60 min at 100 °C, about 75 °C above its Tg (data not shown). The authors read this as "mobility is not the sole criterion" for separation. ·
More detail
The vacuum-dried powder was held at 100 °C for 60 min, cooled and rescanned; it did not show two Tgs, but the trace is not shown. ·
The authors combine this with the films: dry-cast and humid-cast films both formed from solution, where mobility should be high in either case, yet only the humid-cast film separated; they take this as "evidence" that water acts by changing the thermodynamics. ··
They add that melt-extruded miconazole–PVPVA dispersions are miscible and that compression can remix separated ones (Singh 2014, ref 44; Singh 2015, ref 43), "consistent with" this "conjecture". ·
Neither the water content of the films nor the mobility during casting was measured.
04Further observations
- Both phases of the humid-cast film carry both IR marker peaks. ·
- PVPVA's first flexural resonance lies 1.2 kHz below miconazole's, enough for stiffness contrast. ·
- Fluorescein dyes stain the drug-rich phase although they are hydrophilic. ··
- Confocal analysis takes under 1 min per sample; resolution about 150 nm by the authors' estimate. ··
- Domain size depends on the film: ≈0.2–0.5 µm (45% RH, AFM) up to ≈15 µm (60% RH, confocal). ··
More detail
- Mixed spectra. In the 60% RH film both the discrete and the continuous phase showed the 1590 and 1679 cm⁻¹ peaks; the authors leave open whether this is partial miscibility, spectral mixing through the depth or between domains closer than the resolution, or both, and compare normalised relative peak heights instead. ··
- Stiffness contrast. The first flexural resonances were 113.8 kHz (miconazole) and 112.6 kHz (PVPVA) in the text; the plotted maxima read ≈113.6 and ≈112.3 kHz. Five spectra of each were tight enough to separate the two materials. ··
- The fluorescein exception. Fluorescein, FITC and 5-DTAF went to the drug-rich phase despite their ionizable carboxylate; the authors suggest an interaction of acidic fluorescein with weakly basic miconazole ("may arise"). ··
- Speed and resolution. The authors give under 1 min per confocal analysis and a theoretical lower limit of about 150 nm from 0.5 λ/NA (407 nm, NA 1.49), which recomputes to about 137 nm; nano-IR resolves about 100 nm, DSC fails below about 30 nm. ····
- Domain sizes vary. Pits were ≈0.3–0.7 µm (60% RH) and ≈0.2–0.5 µm (45% RH) in 5 µm AFM fields, while confocal domains in the 60% RH film reached ≈15 µm; the scale bars also imply different confocal fields (≈47–93 µm) than the stated 0.07 µm pixel size (≈72 µm). ····
- Film thickness. Films were estimated at about 300 nm thick, yet the 60% RH pits were 200–400 nm deep; which film was measured is not stated. ··
- Tg pattern of wet powders. The drug-rich Tg at 75% RH (10 °C) lies above that of pure miconazole (0 °C), and the polymer-rich Tg is higher at 100% RH (68 °C) than at 75% RH (48 °C); the paper does not discuss either. ···
- Other systems. The two-dye approach also showed phase separation in itraconazole–HPMC dispersions, checked by solid-state NMR (Purohit 2017, ref 32). ·
05How the authors connect the findings
More detail
- A film cast with water excluded (20% RH) was miscible by AFM, nano-IR and confocal imaging, and the dry powder had one Tg; the authors conclude that miconazole and PVPVA "do not appear to be inherently immiscible". ···
- They ask whether water only raises mobility in a system that is already unstable, or whether it changes the thermodynamics on uptake (the "delta chi effect"). During solvent casting, mobility "is likely" high at both 20% and 45–60% RH because solvent is present, yet only the humid film separated; and the dry powder stayed one phase after 60 min at 100 °C. From this they conclude that mobility "is not the sole criterion" and that "evidence is provided" for a thermodynamic role of water, an antisolvent for miconazole. ···
Little water, slowly. With water from humid air during casting or storage, discrete drug-rich domains appear in a polymer-rich continuous phase; the authors suggest the separation "may occur via a nucleation and growth mechanism". On storage the morphology was fixed by 7 days and did not change up to 4 weeks. ··
Bulk water. On immersion, water uptake rapidly forms drug-rich and polymer-rich regions that "undergo considerable rearrangement" with time: polymer-rich droplets at 5 min, a connected pattern by 30 min. The drug-rich regions end up higher, which the authors explain by faster dissolution of the polymer-rich phase ("most likely"; "suggests"). The structure is much coarser than after humid storage. ···
What sets the structure. The authors expect susceptibility to water to carry over between routes ("It is intuitive"; "will likely"), while the thermodynamics and mobilities differ, so the microstructure "may differ considerably"; they call for a systematic comparison across routes.
Conclusion drawn. The separation is water-induced and not a matter of mobility alone; confocal microscopy with two dyes makes these structures visible quickly. The authors state this for miconazole–PVPVA prepared by solvent evaporation. ··
06What it means for formulation
- Excluding water during solvent-based ASD formation gave a miscible film; humid air did not ("It is clear").
- A system that separates with water by one route will "likely" do so by another, though the structure may differ.
- Phase behaviour during dissolution "may well" matter for release; two-dye confocal imaging could help compare formulations.
- Control and record ambient RH when solvent-casting or spray-drying ASDs of hydrophobic drugs: 45–60% RH was enough to separate this 50:50 system.
- A single Tg on a dry powder does not show that the ASD stays one phase in use.
More detail
- If water exposure is minimised during ASD formation (low RH), a miscible film can be obtained; moderate RH during formation gives drug-rich domains. The authors offer this as "perhaps" some insight into what controls the miscibility of solvent-made ASDs, including the spray-dried miconazole–PVPVA dispersions that separated above 20% drug. ·
- Susceptibility to water should carry over between preparation, storage and hydration, but the structure that results can differ, so the routes should be compared systematically.
- The phase behaviour of initially miscible ASDs during dissolution "may well be of great importance" for release, and methods such as two-dye confocal imaging "are likely to be of great importance" for comparing formulations.
- Two-dye confocal microscopy is presented as a quick addition to the miscibility toolbox, with a resolution limit of about 150 nm to bear in mind. ·
- Ambient humidity during solvent casting or spray drying is a process variable for ASDs of hydrophobic drugs: here, 45–60% RH in room air was enough to separate a 50:50 film that was miscible at 20% RH.
- A single Tg on a dry powder says little about the ASD in use: the same 50:50 powder showed one Tg dry but two after equilibration at 75% RH.
- The structure formed in buffer (coarse, connected drug-rich regions left behind as the polymer leaves) is the kind that could slow drug release from high-loading ASDs, but release was not measured here.
- Dye-based confocal imaging is a fast screen; the dye-to-phase assignment is best confirmed on the same film by an orthogonal method.
07Open questions
- How do water at formation, in storage and during hydration compare, systematically and across systems?
- Does phase separation during dissolution change the drug release rate?
- How much water triggers separation: no water contents were measured. ·
- When storage-induced separation starts: only day 7 is reported.
More detail
- A systematic comparison of the impact of water introduced at formation, storage and hydration on phase behaviour and microstructure "is necessary".
- Whether the phase behaviour of initially miscible ASDs during dissolution affects release rate is left as "may well be of great importance".
- Whether water acts through mobility or through thermodynamics is the question the authors raise; they argue for thermodynamics without measuring it. ·
- The water content at which the films separate, and the composition of each phase, were not measured. ·
- Storage results at 1, 2 and 3 days are not reported, so the onset time on storage is unknown.
- The immersed films were imaged dry, after separate immersions, not in buffer.
- Drug release, other drug loadings than 50:50, other polymers and other drugs were not studied.
- The nucleation-and-growth route was inferred from final structures only.
08How solid
AI assessment, not a statement made in the paperThe qualitative result (one phase dry, two phases with water) is seen by confocal imaging, AFM-IR, LCR and DSC. ···· But the dye-stained films were matched to separate dye-free AFM films, the images are qualitative, and the thermodynamic explanation rests on argument and an unshown DSC run. ·
More detail
- Three orthogonal methods agree that the humid-cast film has drug-rich discrete domains in a polymer-rich matrix. ···
- The same contrast reappears in the stored film by both confocal imaging and AFM-IR. ·
- After immersion, AFM-IR identifies the raised regions as drug-rich.
- DSC on powders moves from one Tg (dry) to two (75% and 100% RH). ··
- The dye screen is internally consistent: hydrophobic dyes to the drug-rich phase, charged dyes to the polymer-rich phase, with one stated exception.
- Dye-free AFM films and dyed confocal films were cast separately on different substrates; domain identity in confocal images is inferred by analogy.
- The thermodynamic role of water rests on argument and on an annealing DSC shown as "data not shown"; no water content or interaction parameter was measured. ·
- "Rapid" separation on storage is not shown: only day 7 is reported.
- Immersed films were imaged dry after separate immersions, and the Fig. 13 caption contradicts the text. ·
- Domain sizes are not quantified and differ between films; the stated domain size range and pixel size do not match the scale bars. ·
- AFM-IR figure numbering is wrong in the text, and the high-RH films span 45–60% RH. ·
- One composition (50:50), one drug and one polymer; the DSC was done on powders, not on the films.
09Figure guide
Every figure and table of the paper, what it is there for, and what to check on the original. Key figures are shown with the story.
| Figure | What it does in the paper | Supports | Check (AI note) |
|---|---|---|---|
| Graphical abstract (p.2) | Summarises the three water routes with confocal images reused from Figs. 9, 10, 11 and 13.··· | header | |
| Fig. 1 (p.26) | Structures of R6G, prodan, PVPVA and miconazole. | 0.2 | A schematic, not data. |
| Fig. 2 (p.26) | Reference topography and nano-IR spectra of the pure films; fixes the 1590 and 1679 cm⁻¹ marker peaks.· | F1 | |
| Fig. 3 (p.27) | Bulk FTIR of the pure components with the same marker peaks. | F1 | |
| Fig. 4 (p.27)key figure | Dry-cast film: flat topography and identical spectra at five points. | F1, K1 | |
| Fig. 5 (p.28)key figure | Humid-cast film: pits, and spectra richer in the drug band in the pits.· | F1, K1 | Pit depth exceeds the stated film thickness. |
| Fig. 6 (p.28)key figure | AFM-IR maps: pits drug-rich, matrix PVPVA-rich. | F1, K1 | Cited in the text as Fig. 8. |
| Fig. 7 (p.29) | LCR spectra of the pure films; resonances at 113.8 and 112.6 kHz. | F1 | |
| Fig. 8 (p.30)key figure | LCR stiffness maps of a 45% RH film: discrete domains stiff like the drug. | F1 | Film cast at 45%, not 60% RH. |
| Fig. 9 (p.30)key figure | Confocal images of the dry-cast film: even fluorescence. | F3, K1 | |
| Fig. 10 (p.30)key figure | Confocal images of the humid-cast film: prodan droplets in an R6G matrix. | F3, K2 | Domains up to ≈15 µm, not "few microns". |
| Fig. 11 (p.31)key figure | Confocal images after 1 week at 75% RH: drug-rich droplets. | F4, K3 | Days 1–3 not shown. |
| Fig. 12 (p.31)key figure | AFM-IR after 1 week at 75% RH: pits drug-rich. | F4, K3 | |
| Fig. 13 (p.32)key figure | Confocal series after 5, 20 and 30 min in buffer: polymer droplets, then a connected pattern. | F5, K4 | Caption contradicts the text; dried snapshots.· |
| Fig. 14 (p.33)key figure | AFM after 30 min in buffer: bicontinuous topography. | F5, K4 | |
| Fig. 15 (p.33)key figure | AFM-IR after 30 min in buffer: raised regions drug-rich. | F5, K6 | |
| Table 1 (p.34)key figure | Dye screen: which phase each dye stains, photobleaching, laser lines. | F2, K2 | |
| Table S1 (SI) | Dye screening results cited in the text; the SI was not supplied. | F2 |