Does the HPMC-AS grade (AS-LF or AS-HF) change a drug's amorphous solubility, and does that change how much drug crosses a membrane from a supersaturated solution or a dissolving ASD?
Yes, for these four drugs. AS-HF cut the amorphous solubility of ATZ and CLZ by more than half and of KET by a quarter, while AS-LF changed it by under a tenth. Above the amorphous solubility AS-HF lowered the peak receiver concentration of ATZ and CLZ by about a quarter; below it the two grades gave the same transport. ··
For ATZ, NIF, CLZ and KET in phosphate buffer at 37 °C, dissolved AS-HF lowered the amorphous solubility much more than AS-LF, and more so at higher AS-HF concentration, and in the presence of drug-rich droplets far more AS-HF than AS-LF was lost from the solution NMR signal. ···· The authors conclude that AS-HF distributes into the drug-rich phase and that this distribution "accounts for" the lower amorphous solubility, by lowering the drug chemical potential in that phase; they trace the larger distribution to the higher acetate and lower succinate content that makes AS-HF more hydrophobic. ·· In a hollow-fibre membrane apparatus, ATZ and CLZ transport was the same for both grades below the amorphous solubility and lower with AS-HF above it, which the authors "readily" attribute to less free drug being available to permeate; Cmax at each grade's own amorphous solubility was about half with AS-HF, as was the amorphous solubility. ···· Drug-rich nanodroplets raised Cmax further with similar slopes for both grades, so the authors judge that the change in amorphous solubility had the "greater overall impact" on in vitro transport, also for 1:9 ATZ ASDs dissolving in the donor. ··· Two links were not measured: the composition of the drug-rich droplets and the drug chemical potential in them; in vivo absorption was not tested. ··
01Why this study
Membrane flux rises with supersaturation only up to the amorphous solubility, where a drug-rich phase forms by LLPS or GLPS and the free drug concentration stops rising.
Drug-rich nanodroplets can act as a reservoir and may carry drug through the unstirred water layer.
Hydrophobic HPMC derivatives enter the drug-rich phase, and some polymers lower the amorphous solubility.
Ueda 2017, ref 28; Mosquera-Giraldo 2018, ref 26; Ueda 2019, ref 48 ·
A hollow-fibre absorptive dissolution apparatus detects both the supersaturation and the nanodroplet contribution to flux.
Hate 2019, ref 33
More detail
What was already known. The introduction and the opening of the discussion build on these points; the polymer and chemical-potential points are cited in the discussion.
- ASDs and HPMC-AS. ASDs raise oral absorption of poorly water-soluble drugs and usually supersaturate under non-sink conditions; the polymer and composition must be chosen to stop crystallization, and HPMC-AS is widely used because it inhibits crystallization well. (refs 1-19, including the first author's earlier HPMC-AS studies, refs 10-12)
- The amorphous solubility is a ceiling. Above the amorphous solubility a supersaturated solution separates into a colloidal drug-rich phase by liquid-liquid or glass-liquid phase separation; the onset marks the maximum thermodynamic activity and the maximum free drug concentration. The drug-rich phase is nanometre-sized at first and is not thought to cross a membrane, so transport should plateau at the amorphous solubility. Flux is directly proportional to supersaturation. (Ilevbare 2013, ref 22; Mosquera-Giraldo 2015, ref 23; Raina 2014, ref 25) ··
- Nanodroplets as reservoirs. The drug-rich phase can keep the free concentration at its maximum while drug is absorbed; some polymers stop the droplets coarsening, and nanodroplets diffusing through the unstirred water layer by Brownian motion have been hypothesized to bring drug closer to the epithelium. Supersaturation and nanodroplets have improved absorption in vivo. (Indulkar 2016, ref 27; Ueda 2017, ref 28; refs 29-31, including Wilson 2018, ref 31) ·
- Formulation target. ASDs should dissolve above the amorphous solubility to form nanodroplets; the right polymer type and amount give nanodroplets through polymer-controlled dissolution. (Que 2019, ref 32; Hate 2019, ref 33)
- What is missing. How the ASD polymer itself affects the absorption gain is not well understood, and conventional dissolution tests give little mechanistic insight.
- The tool. The group's hollow-fibre, flow-through mass-transport apparatus is very sensitive to solution phase behaviour and showed extra mass flow from nanodroplets beyond supersaturation. (Hate 2017, ref 34; Hate 2019, ref 33)
- Polymers in the drug-rich phase. Certain polymers lower the amorphous solubility and change droplet size, colloidal stability and surface properties; more hydrophobic HPMC derivatives distribute more into the drug-rich phase; a second component mixed into the drug-rich phase lowers the drug chemical potential. (Mosquera-Giraldo 2018, ref 26; Ueda 2017, ref 28; Ueda 2019, refs 42, 48; Trasi 2015, ref 50; Lindfors 2006, ref 51) ··
What the paper set out to do. Use two HPMC-AS grades to test how polymer substituent type affects drug amorphous solubility and drug transport across a membrane: first the amorphous solubility of several drugs with each grade, then the size and polymer content of the drug-rich droplets, then mass transport of solutions containing these droplets, and of dissolving ASDs, in the flow-through apparatus. ···
02How they approached it
Two HPMC-AS grades that differ in substituent balance are compared at the same dissolved concentration with four poorly soluble drugs, each in a buffer where it is mostly un-ionized; every read-out is a grade-against-grade comparison, and transport below the amorphous solubility serves as the control. ····
What was done
Drug stock pumped into buffer with 0-2700 µg/mL polymer, 37 °C→onset of light scattering→amorphous solubility.·
Excess crystals with and without polymer, 48 h→HPLC→crystalline solubility and solubility ratio.·
Drug added above the amorphous solubility→DLS size of the drug-rich droplets, fresh and over 3 h of stirring.···
Same droplets in 1000 µg/mL polymer→solution 1H NMR→polymer still dissolved.··
ATZ and CLZ donor solutions below, at and above the amorphous solubility→hollow-fibre membrane→receiver profiles and Cmax.··
Suspended 1:9 ATZ ASDs→same apparatus→receiver profiles.·
Grade ratio of amorphous solubility against grade ratio of Cmax at the amorphous solubility→offset and slope of Cmax above it.··
More detail
What was done
- Materials and media. ATZ was converted from its metastable as-received form to the stable crystal form by stirring in water for 48 h at 37 °C; NIF, CLZ and KET were used as received; AS-LF and AS-HF came from Shin-Etsu (substituent ratios in Table S1, not supplied). ATZ and NIF were studied in 50 mM phosphate buffer pH 6.8, CLZ and KET in 100 mM phosphate buffer pH 8.0, chosen so that each drug is mostly un-ionized. ···
- Amorphous solubility. A 20 mg/mL methanolic drug stock was pumped at 20-40 µL/min into 15 mL buffer with 0, 100, 500, 1000 or 2700 µg/mL polymer at 37 °C (final methanol 0.2-1.2%); the concentration at which scattering at 450 nm appeared was taken as the amorphous solubility (n = 3). ·
- Crystalline solubility. Excess crystals were stirred 48 h at 37 °C with 0, 1000 or 2700 µg/mL polymer, ultracentrifuged (229600 ×g, 30 min) and analysed by HPLC; the ratio amorphous/crystalline solubility gives the maximum supersaturation. ·
- Droplet size. Drug was added to 300 (ATZ), 400 (NIF), 600 (CLZ) or 300 µg/mL (KET), about three times the neat amorphous solubility (NIF about twice its AS-LF value), and the Z-average was read by DLS at 37 °C; ATZ droplets (2700 µg/mL polymer) and CLZ droplets (1000 µg/mL) were also stirred at 300 rpm for 3 h. ·
- Polymer left in solution. The same drug doses were added to 1000 µg/mL polymer in H2O/D2O; 800 MHz 1H NMR with water suppression quantified the polymer against TSP from its acetyl peak (ATZ, CLZ) or hydroxypropyl peak (NIF, KET). Following earlier work, the lost signal is read as polymer that has gone into the drug-rich droplets, where its mobility is suppressed. ·
- Transport. Donor and receiver (each with polymer: 2700 µg/mL for ATZ, matching what a 1:9 ASD releases; 1000 µg/mL for CLZ) were pumped co-currently at 4 mL/min through a cellulosic hollow-fibre module (100 cm², 15 nm pores); receiver drug was read by a UV probe. Donors: ATZ 20, about 76 or 36 (each grade's amorphous solubility), 150 and 300 µg/mL; CLZ 50, about 219 or 95, 400 and 600 µg/mL. ··
- ASD dissolution. Spray-dried 1:9 ATZ ASDs were suspended in the 50 mL donor (300 µg/mL ATZ and 2700 µg/mL polymer if fully dissolved), stirred at 300 rpm, with 10 µm filters in the donor line, and compared with the solvent-shift solutions of the same dose. ·
Key equations
The highest supersaturation a solution can reach before a drug-rich phase forms, as a concentration ratio; the paper uses it to show that the attainable supersaturation falls with HPMC-AS, most with AS-HF.·
Flux follows the free-drug supersaturation, which is capped at the amorphous solubility; this is the basis for reading a lower amorphous solubility as a lower maximum flux.·
Fitted lines of Cmax (y) on initial donor concentration (x) for AS-LF and AS-HF; for CLZ the slopes are 0.0989 and 0.0828. The similar slopes are the authors' basis for an equal nanodroplet contribution with both grades.·
Terms used on this page
- Amorphous solubility: the highest free drug concentration before the solution separates into a drug-rich phase; it marks the maximum thermodynamic activity of the drug in that medium.
- LLPS / GLPS: liquid-liquid or glass-liquid phase separation, the formation of a dispersed drug-rich phase above the amorphous solubility.
- Drug-rich droplets (nanodroplets): the colloidal drug-rich phase; it can hold dissolved polymer.
- Solubility ratio: amorphous over crystalline solubility, the maximum supersaturation by concentration.
- Z-average: the mean droplet diameter given by dynamic light scattering.
- Solvent shift: making a supersaturated solution by adding a concentrated drug solution in methanol to buffer.
- Cmax, AUC: the highest receiver concentration and the area under the receiver profile in the flow-through apparatus.
- Unstirred water layer: the stagnant aqueous layer next to a membrane through which drug must diffuse.
03Main findings
AS-HF lowers the amorphous solubility far more than AS-LF
AS-HF lowered ATZ from 81.5 to 35.5 µg/mL, CLZ from 233.0 to 95.0 and KET from 75.0 to 56.0; AS-LF only to 75.8, 219.0 and 71.2. NIF reached 221 µg/mL with AS-LF and 123 with AS-HF. ···
More detail
Amorphous solubility was read by the onset of light scattering without polymer and with 100-2700 µg/mL of either grade (Fig. 2, Table 1; ATZ at 2700, the others at 1000 µg/mL in the table). AS-LF lowered ATZ, CLZ and KET slightly, by 5-8%, and its concentration between 100 and 1000 µg/mL made no difference (ATZ ≈75, NIF ≈221-225, CLZ ≈217-222, KET ≈71-72 µg/mL). AS-HF lowered ATZ, NIF and CLZ strongly and more as its concentration rose: ATZ ≈45, ≈40.5, ≈37 and 35.5 µg/mL at 100, 500, 1000 and 2700 µg/mL; NIF ≈165, ≈137 and 123; CLZ ≈164, ≈127 and 95.0. KET fell less, to ≈63, ≈60 and 56.0 µg/mL. Without polymer NIF crystallized before its amorphous solubility could be read. The abstract calls the AS-HF effect a substantial reduction and the AS-LF effect "only a minor impact". ···
Far more AS-HF than AS-LF leaves the solution signal when droplets form
With drug-rich droplets present, NMR still detected ≈920-990 µg/mL of the 1000 µg/mL AS-LF, but only ≈415-880 µg/mL of AS-HF (lowest with CLZ, highest with ATZ).
More detail
Solution 1H NMR of 1000 µg/mL polymer with ATZ 300, NIF 400, CLZ 600 or KET 300 µg/mL, all above the amorphous solubility. With AS-LF the polymer peaks hardly changed when droplets formed and drug peaks were visible; with AS-HF the polymer peaks fell clearly for NIF, CLZ and KET and slightly for ATZ, and no drug peaks stood out (Fig. 5). Quantified, NMR-detected AS-LF was ≈975 (ATZ), ≈955 (NIF), ≈920 (CLZ) and ≈990 µg/mL (KET), against ≈880, ≈480, ≈415 and ≈600 µg/mL for AS-HF (Fig. 6). Relying on earlier work that polymer inside droplets loses its NMR signal through suppressed mobility, the authors read the missing polymer as polymer distributed into the drug-rich phase, AS-HF more than AS-LF for every drug. ···
AS-HF gives smaller droplets that stay small
At 1000 µg/mL polymer the fresh droplets were ≈204 versus ≈252 nm (ATZ), ≈62 versus ≈290 (NIF), ≈103 versus ≈249 (CLZ) and ≈121 versus ≈456 nm (KET) with AS-HF versus AS-LF; over 3 h of stirring AS-HF droplets kept their size, AS-LF droplets grew to ≈268-269 nm. ·
More detail
Without polymer the droplets coarsened and crystallized quickly. With either grade, droplets got smaller as the polymer concentration rose, for example ATZ from ≈385 to ≈232 nm with AS-LF and from ≈377 to ≈196 nm with AS-HF between 100 and 2700 µg/mL (Fig. 3). From 500 µg/mL up, AS-HF droplets were smaller than AS-LF droplets for all four drugs; at 100 µg/mL ATZ and CLZ droplets were about the same size with either grade, whereas NIF and KET droplets were already smaller with AS-HF. Under stirring at 300 rpm, AS-LF droplets grew during the first hour (ATZ ≈231 to ≈264 nm, CLZ ≈249 to ≈265 nm) and then stayed below 300 nm; AS-HF droplets stayed at ≈196-200 (ATZ) and ≈98-105 nm (CLZ) for 3 h (Fig. 4). ·····
Above the amorphous solubility AS-HF lowers transport; below it the grades are equal
ATZ 300 µg/mL: Cmax ≈18.0 with AS-LF versus ≈13.3 µg/mL with AS-HF; CLZ 600 µg/mL: ≈73.5 versus ≈55. At ATZ 20 and CLZ 50 µg/mL the two profiles overlapped (Cmax ≈3.4 and ≈6.7).
More detail
The receiver concentration rose for 5-10 min to a peak and then fell slowly as the donor was depleted (Fig. 7). Below the amorphous solubility of both grades (ATZ 20 µg/mL with 2700 µg/mL polymer, CLZ 50 µg/mL with 1000 µg/mL), the AS-LF and AS-HF profiles lay on top of each other. Above it (ATZ 300, CLZ 600 µg/mL), the AS-LF profile stayed higher for the whole hour: ATZ ≈18.0 versus ≈13.3 µg/mL at the peak and ≈14.6 versus ≈11.8 at 59 min; CLZ ≈73.5 versus ≈55 and ≈59.5 versus ≈42. The authors report Cmax and AUC as "significantly higher" with AS-LF (no test or AUC values given) and attribute the gap to the lower amorphous solubility with AS-HF: above it the free drug is fixed at the amorphous solubility, so less free drug is there to cross the membrane. ·····
Cmax keeps rising above the amorphous solubility, with similar slopes for both grades
At each grade's own amorphous solubility, Cmax was ≈10.1 (AS-LF) versus ≈4.6 µg/mL (AS-HF) for ATZ and ≈35.8 versus ≈13.8 for CLZ; above it Cmax rose linearly with slopes 0.0344 versus 0.0338 (ATZ) and 0.0989 versus 0.0828 (CLZ). ·
More detail
Cmax against initial donor concentration (Fig. 8; the profiles are in Fig. S2, not supplied). The lowest donor of each series sat at that grade's amorphous solubility (arrows): ATZ ≈76 (AS-LF) and ≈36 µg/mL (AS-HF), CLZ ≈219 and ≈95 µg/mL. Cmax kept rising with donor concentration above the amorphous solubility although the 100-300 nm droplets cannot pass the 15 nm pores; the authors read this as the nanodroplets adding to transport. Fitted lines: ATZ y = 0.0344x + 7.6932 (R² = 0.9969, AS-LF) and y = 0.0338x + 3.7405 (R² = 0.9902, AS-HF); CLZ y = 0.0989x + 17.786 (R² = 0.9094) and y = 0.0828x + 6.914 (R² = 0.9918). The authors call the slopes "approximately parallel": the nanodroplet contribution was similar for both grades although CLZ droplets were about 100 nm with AS-HF and 250 nm with AS-LF, so "over this size range" the gain depends on how much drug is in droplet form rather than on droplet size. They also note that both the amorphous solubility and Cmax at it are "approximately half" with AS-HF; the ratios are 0.47 and ≈0.46 for ATZ, 0.43 and ≈0.39 for CLZ. ·······
Dissolving ASDs show the same grade effect
Suspended 1:9 ATZ ASDs gave receiver peaks of ≈16.0 µg/mL with AS-LF and ≈13.4 with AS-HF, against ≈18.0 and ≈13.3 for the solvent-shift solutions of the same dose.
More detail
Each ASD could release at most 300 µg/mL ATZ and 2700 µg/mL polymer into the donor, the same as in the solution runs. The AS-LF ASD rose more slowly in the first minutes (≈12.1 versus ≈13.6 µg/mL at 3 min), peaked lower than its solution (≈16.0 versus ≈18.0) and met it after about 35 min; the AS-HF ASD followed the AS-HF solution almost exactly (Fig. 9). The authors call the ASD and solution profiles "very similar" and the reduction from the AS-HF ASD significant, and extend their conclusion on amorphous solubility to ASD dissolution. ···
04Further observations
- Crystalline solubility stayed at about 1.1 µg/mL for ATZ but rose with polymer for NIF, CLZ and KET (KET 1.38 to 5.30 µg/mL with AS-HF). ·
- The solubility ratio fell with polymer, most with AS-HF (ATZ 71.5 to 33.2; KET 54.3 to 10.6). ·
- Without polymer NIF crystallized, and drug-rich droplets of all drugs coarsened and crystallized. ·
- One Table 1 ratio is misprinted: CLZ with AS-LF reads 5.9, its inputs give 9.95.
More detail
- Crystalline solubility. ATZ 1.14, 1.20 and 1.07 µg/mL without polymer, with AS-LF and with AS-HF (2700 µg/mL); NIF 9.21, 11.83 and 11.49; CLZ 16.2, 22.0 and 22.9; KET 1.38, 3.26 and 5.30 (1000 µg/mL). The authors call the rise "slight" and say it "may be due to" solubilization by HPMC-AS; for KET it is 2.4- to 3.8-fold. ···
- Maximum supersaturation. The solubility ratio fell from 71.5 to 63.2 (AS-LF) and 33.2 (AS-HF) for ATZ, from 14.4 to 4.1 (AS-HF) for CLZ and from 54.3 to 21.8 and 10.6 for KET; NIF reached 18.7 with AS-LF and 10.7 with AS-HF. The printed CLZ AS-LF ratio of 5.9 should read 9.95 from its own inputs. Solubilization that lowers drug activity can raise the amorphous solubility, yet AS-HF lowered it while the crystalline solubility stayed or rose. ····
- Polymer as coarsening inhibitor. Without polymer NIF crystallized before LLPS could be read and the droplets of all drugs coarsened and crystallized; with HPMC-AS they stayed nanometre-sized. ··
- Drug peaks in NMR. Drug peaks were visible in the AS-LF spectra but were not marked in the AS-HF spectra (Fig. 5); the paper does not comment on this.
05How the authors connect the findings
More detail
- Earlier studies concluded that more hydrophobic HPMC derivatives distribute more into the drug-rich phase; AS-HF is more hydrophobic than AS-LF because of its high acetate and correspondingly low succinate substitution. ·
- When drug is added above its amorphous solubility it forms drug-rich droplets. AS-HF loses much more NMR signal than AS-LF, which the authors read as AS-HF distributing into these droplets, for all four drugs. ···
- Polymer mixed into the drug-rich phase lowers the drug chemical potential in that phase (refs 50, 51). Since the amorphous solubility is set by that chemical potential, it falls; a higher AS-HF concentration puts more polymer into the droplets and lowers it further. ·
- Above the amorphous solubility the free drug equals the amorphous solubility (ref 43), only free drug permeates, and flux is proportional to supersaturation; so with AS-HF the maximum driving force for transport is lower. ···
[+] AS-LF. Most polymer stays in water → amorphous solubility close to the neat value → higher Cmax at and above it → nanodroplets add flux on top. ··
[-] AS-HF. Polymer goes into the droplets → amorphous solubility about half the AS-LF value → Cmax at the amorphous solubility about half → nanodroplets add the same increment, so the whole line sits lower. ··
- The smaller AS-HF droplets come "in part" from slower Ostwald ripening at the lower amorphous solubility and, "it can be speculated", from slow polymer diffusion in the droplets. Smaller droplets "would be expected" to diffuse faster in the boundary layer, but the similar slopes show that over 100-250 nm the amount of drug in droplet form matters more than droplet size. ···
What sets the switch point. The amount of polymer in the drug-rich phase, set by polymer hydrophobicity (substituent type) and by the polymer concentration after dissolution; more polymer there helps inhibit crystallization in that phase but lowers the amorphous solubility. ··
Conclusion drawn. Abstract: "Polymer distribution into the drug-rich phase accounts for the reduction in the drug amorphous solubility"; discussion: the change in amorphous solubility "was found to have a greater overall impact" on in vitro absorption than the nanodroplets, for solutions and dissolving ASDs alike. ·
06What it means for formulation
- Check what the polymer does to the amorphous solubility, not only to crystallization, when optimizing an ASD for absorption.
- Choose the polymer by its tendency to enter the drug-rich phase and by the concentration it reaches after dissolution, balancing crystallization inhibition against amorphous-solubility loss.
- Within HPMC-AS, the grade sets the free-drug ceiling: AS-LF cost these drugs under a tenth of their amorphous solubility, AS-HF up to about 60%.
- Amorphous solubility measured in plain buffer can overstate what a polymer-rich ASD solution reaches.
More detail
- The polymer's impact on amorphous solubility and on transport needs consideration when ASDs are optimized for absorption ("highlights the need"; "highlights the importance of polymer selection"). ·
- A high polymer loading helps crystallization inhibition, but a higher dissolved polymer concentration, particularly of AS-HF, lowers the amorphous solubility.
- More polymer in the drug-rich phase helps inhibit crystallization in that phase; when the absorption window is long enough, longer-lasting supersaturation "may outweigh" the lower flux.
- Improved crystallization inhibition "should be balanced" against the amorphous-solubility decrease; select the polymer by its tendency to distribute into the drug-rich phase and by the concentration reached after dissolution.
- With HPMC-AS the grade is a lever on the maximum free drug concentration: for these four drugs AS-LF cost under a tenth of the amorphous solubility and AS-HF a quarter to about 60%.
- A 1:9 drug:polymer ASD releases much more polymer than drug (2700 against 300 µg/mL here); at such levels the AS-HF penalty is near its largest, so a high polymer loading and a hydrophobic grade add up.
- The nanodroplets helped both grades by about the same amount here; they did not make up for the lower free-drug ceiling with AS-HF.
- An amorphous-solubility screen is more informative with the dissolved polymer present at the concentration expected after release; for ATZ the neat value (81.5 µg/mL) was more than twice the AS-HF value (35.5).
07Open questions
- When does better crystallization inhibition by polymer in the drug-rich phase outweigh the lower flux? They tie it to the length of the absorption window.
- Does droplet size matter outside the 100-250 nm range studied ("over this size range")?
- The composition of the drug-rich droplets was not measured; polymer distribution rests on loss of NMR signal. ·
- Polymer distribution was measured at one polymer concentration only.
- No in vivo data; only two grades of one polymer.
More detail
- Whether long-lasting supersaturation from better crystallization inhibition outweighs the reduced flux depends on the absorption window; the paper gives the trade-off but no test of it.
- Smaller droplets "would be expected" to contribute more through faster diffusion in the boundary layer, yet over 100-250 nm size did not matter; whether it matters for smaller or larger droplets is left open. ·
- The authors "speculate" that slow polymer diffusion in the droplets slows their ripening; this was not measured.
- How much polymer and water the drug-rich droplets contain, and whether the lost NMR signal is polymer inside the droplets or on their surface.
- Why ATZ lost only about 12% of AS-HF from solution yet showed one of the largest amorphous-solubility drops.
- How polymer distribution changes with polymer concentration (only 1000 µg/mL was measured, the ATZ transport runs used 2700 µg/mL).
- Whether the grade effect holds in biorelevant media, for other HPMC-AS grades, for other polymers, or in vivo.
- Free drug in the donor was not measured directly; it is inferred from the amorphous solubility.
08How solid
AI assessment, not a statement made in the paperThe grade effects on amorphous solubility and on transport are measured directly and consistently for every drug tested, with a built-in control below the amorphous solubility. The causal link through polymer in the droplets rests on an indirect NMR read-out at one polymer level, and its size does not track the solubility drop across drugs. ······
More detail
- The amorphous solubility with AS-HF is lower than with AS-LF for all four drugs and at every concentration tested, with small SDs. ·
- AS-HF loses more NMR signal than AS-LF with all four drugs.
- Below the amorphous solubility both grades give identical profiles; above it AS-LF is higher for both drugs and for the ASDs. ·
- The fitted lines in Fig. 8 reproduce from the plotted points.
- NMR signal loss does not show where the polymer is, inside the droplets or on their surface; droplet composition was not measured.
- Across drugs, the polymer lost from solution does not rank with the amorphous-solubility drop (ATZ about 12% polymer lost against about 55% solubility drop).
- Polymer distribution was measured only at 1000 µg/mL; the ATZ transport runs used 2700 µg/mL.
- "Significantly" is used without a stated test; AUC values are not reported; n = 3.
- Each Cmax line has three points; for CLZ the slopes differ by about 16% and the AS-LF fit has R² = 0.91.
- The AS-LF ASD peaked about 2 µg/mL below its solution, so the ASD grade gap is smaller than the solution gap.
- CLZ and KET were tested at pH 8.0, ATZ and NIF at pH 6.8; CLZ is about 28% ionized there.
- One printed solubility ratio is wrong (CLZ with AS-LF).
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) |
|---|---|---|---|
| Table 1 (pdf p.25)key figure | Gives the solubility numbers: the amorphous solubility falls with AS-HF while the crystalline solubility stays or rises, so the solubility ratio falls. | F1, K1 | The CLZ AS-LF ratio is misprinted (5.9; 9.95 from its inputs). |
| Fig. 1 (pdf p.26)key figure | Defines the systems: four drug structures and the HPMC-AS repeat unit with its substituents.···· | 0.2 | |
| Fig. 2 (pdf p.27)key figure | The central measurement: amorphous solubility against grade and concentration for four drugs.· | F1, K1 | |
| Fig. 3 (pdf p.28)key figure | Fresh droplet size against grade and concentration. | F3, K7 | At 100 µg/mL ATZ and CLZ sizes are equal for both grades. |
| Fig. 4 (pdf p.29)key figure | Shows the droplets are stable over a transport run; AS-HF droplets smaller and constant. | F3, K7 | |
| Fig. 5 (pdf p.30)key figure | Raw NMR evidence: the AS-HF peaks drop when droplets form. | F2, K2 | Signal loss does not locate the polymer. |
| Fig. 6 (pdf p.31)key figure | Quantifies the polymer left in solution with droplets present. | F2, K2, K3 | ATZ loses only about 12% of AS-HF; the loss does not rank with the solubility drop. |
| Fig. 7 (pdf p.32)key figure | The transport test: the grade matters only above the amorphous solubility. | F4, K4 | "Significantly" without a stated test. |
| Fig. 8 (pdf p.33)key figure | Separates the free-drug and the droplet contributions: offset against slope. | F5, K4, K5 | Three points per line; CLZ slopes differ by about 16%. |
| Fig. 9 (pdf p.34)key figure | Checks that dissolving ASDs behave like the solutions. | F6, K6 | The AS-LF ASD peaks below its solution. |
| Table S1, Figs. S1–S2 (SI, not supplied) | Substituent ratios of the grades, NMR calibration curves and the receiver profiles behind Fig. 8.· |