Can TGA, nonisothermal or isothermal, define the temperature and time window in which amorphous drug–polymer systems can be hot melt extruded without chemical degradation?
Only as a rough guide that errs on the optimistic side. Nonisothermal onsets shifted by 52–170 °C with heating rate and onset criterion, and the tangent onset already meant ≈10–21% mass loss for the crystalline drugs. Isothermal TGA is more direct but needs an ASD to keep the drug amorphous, and for 30/70 bicalutamide–PVPVA a 10-min hold at 180 °C cost under 1% mass yet the assay fell to 88.5%. ····
For three crystalline APIs (posaconazole, indomethacin, bicalutamide), six HME polymers and four solvent-evaporated ASDs, nonisothermal TGA onset temperatures fell at slower heating rates and stricter weight-loss criteria, and the authors judge that onsets from fast ramps read by the tangent method are "likely to overestimate" acceptable processing temperatures. ····· Isothermal TGA is called "a more direct indication" of chemical stability, but neat amorphous posaconazole and bicalutamide crystallized within 1 h between Tg and Tm, so the drugs were tested as ASDs, in which the authors read the mass loss as coming from the polymer for posaconazole and from the drug ("must be primarily driven") for indomethacin and bicalutamide. ···· For 30/70 bicalutamide–PVPVA, the HPLC assay loss after TGA holds at 165 and 180 °C far exceeded the mass loss, and samples held in the TGA were more degraded than 10-min low-shear extrudates, which the authors attribute to the TGA method itself ("may be due to"). ····· They conclude that mass loss is "only an indicator of degradation", that actual potency loss is "likely to be significantly higher", and that acceptable processing windows "should be defined by assay experiments"; the assay comparison covers one drug–polymer pair, and the role of shear, which they expect to add degradation at larger scale, was not tested. ····
01Why this study
That makes their degradation hard to measure.
Byrn 2001, ref 13; Carstensen and Morris 1993, ref 14; Baird 2010, ref 10
In the authors' survey all 30 HME studies used a nonisothermal ramp, mostly at 10 °C/min, and five added a short isothermal test.
for example Andrews 2010, ref 6
The onset is often taken by eye, with little link to the degradation seen in actual extrusion.
Djuris 2013, ref 20; Evans 2018, ref 21
"Cumulative exposure" must be considered.
DiNunzio 2010a, ref 18
Posaconazole degrades above 160 °C in one report but not below 325 °C by TGA in another.
Fang 2011, ref 23; Din 2020, ref 17
More detail
The paper cites by author and year; its reference list is unnumbered, so "ref N" below is the entry's position in the printed alphabetical list (69 entries, p.30-34). The introduction builds on these points:
- HME heats the drug and polymer, and purity and potency must survive it. During HME the crystalline drug is melted or dissolved into the polymer, and the product must keep its identity, strength, purity and potency (Huang and Williams 2017, ref 33; ICH Q3B, ref 63; Moseson and Taylor 2018, ref 56).
- Amorphous forms are more reactive, but they crystallize. Amorphous forms are known to degrade faster than crystals, which generally do not degrade much until they melt; yet amorphous forms can recrystallize, so their own degradation is hard to evaluate (Byrn 2001, ref 13; Carstensen and Morris 1993, ref 14; Pikal 1977, ref 62; Evans 2018, ref 21; Baird 2010, ref 10).
- What TGA measures. TGA records mass loss when solvent or water leaves and when volatile degradation products form, either during a temperature ramp (nonisothermal) or during a hold at fixed temperature (isothermal) (Vyazovkin and Wight 1999, ref 68).
- How the field uses it. The authors reviewed 30 recent studies that used TGA to judge a polymer or crystalline drug for HME: all used a nonisothermal ramp, 10 °C/min was the most common rate, and 5 (17%) also ran an isothermal test of 8-60 min. A few reported the % weight loss at a stated temperature, but the onset (Tonset, also called Tdeg) is often assigned by eye, with little attempt to reconcile it with actual extrusion; the authors warn that the method "may" therefore give misleading information. ··
- Time and temperature together. DiNunzio and co-workers argued that the "cumulative exposure" to time and temperature must be considered when developing HME formulations and processes (DiNunzio 2010a, ref 18).
- Conflicting reports on the three model drugs. Posaconazole, which is extruded commercially with HPMCAS, reportedly degrades significantly above 160 °C and is processed below its Tm (Fang 2011, ref 23; Haser 2016, ref 29), yet an unspecified TGA method found no degradation below 325 °C (Din 2020, ref 17). Indomethacin's single TGA mass-loss step has been reported to begin at 250 °C (Azevedo 2018, ref 8) or 293 °C (Dalmoro 2018, ref 15). Bicalutamide was reported free of volatile degradation below 250 °C at 10 °C/min and to lose under 0.5% when held at 160 °C for 60 min (Andrews 2010, ref 6).
- Choice of drugs. The three drugs are class III molecules with high glass-forming ability, chosen so that degradation could be tested in both the crystalline and the amorphous state (Alhalaweh 2014, ref 4; Baird 2010, ref 10; Wyttenbach and Kuentz 2017, ref 69). ·
What the paper set out to do. First, test nonisothermal and isothermal TGA on crystalline APIs (and amorphous APIs where possible) and on common HME polymers, using DSC to check whether the amorphous drugs crystallize and ASDs to keep them amorphous. Second, compare the polymer results with literature assessments to describe their processing windows. Third, measure by HPLC the degradation after real extrusion and compare it with isothermal TGA, to judge what TGA can and cannot say about drug suitability, polymer choice and process design.
02How they approached it
Three crystalline drugs that form glasses easily, six common HME polymers and four ASDs were run through both TGA modes: a nonisothermal ramp at four rates read by four onset criteria, and isothermal holds at 130–200 °C for 4 h. For one ASD the TGA verdict was checked by HPLC on TGA-exposed and extruded samples. ·
What was done
Survey of 30 HME studies that used TGA→which mode and heating rate they chose.
Nonisothermal TGA of crystalline APIs, polymers and ASDs at 1, 2, 5, 10 °C/min→Tonset by tangent and by 0.1, 0.5, 1.0% mass loss.···
DSC holds of undercooled API melts below Tm→crystallized or not.·
Isothermal TGA at 130–200 °C for 4 h→mass-loss maps of polymers, ASDs and crystalline versus amorphous IDM.···
BCL/PVPVA ASD against physical mixtures with small or large crystals→nonisothermal mass loss.·
30/70 BCL/PVPVA held in the TGA or extruded at 165 and 180 °C→HPLC assay and degradant peaks.···
HPLC of PCZ and IDM extrudates.·
Onsets against literature values for the drugs and the polymers.·
More detail
What was done
- Materials and samples. Crystalline PCZ (form I), IDM (γ) and BCL (form I) and six polymers were used as received; ASDs were made by rotary evaporation at 60 °C from methylene chloride–methanol (PCZ, IDM) or ethanol (BCL), vacuum-dried and cryomilled; physical mixtures were tumble-blended, BCL with micronized (D50 3.5 µm) or large (93 µm) crystals. Neat amorphous drugs were made in the TGA or DSC pan by melting about 10 °C above Tm for 5 min and cooling to the test temperature. ···
- Nonisothermal TGA. Samples were heated under nitrogen from ambient to 300 °C or higher at 1, 2, 5 and 10 °C/min. The onset was taken in two ways: the tangent intersection of baseline and mass-loss curve (instrument software), and the temperature at which 0.1, 0.5 or 1.0% mass had been lost after normalizing to 100% at 140 °C (polymers, ASDs; loss below 140 °C counted as water or solvent) or just above Tm (crystalline drugs). ·
- Undercooled melts. Each crystalline drug was melted in the DSC, cooled at 20 °C/min to a hold temperature below Tm, held 1 h (PCZ, BCL) or 4 h (IDM), cooled to 25 °C and reheated; a melting peak on reheating was taken as proof that the drug had nucleated during the hold. ·
- Isothermal TGA. Samples were heated at 50 °C/min to 130–200 °C and held 4 h under nitrogen, in duplicate; mass loss was drawn as contour maps against temperature and time.
- Extrusion. A 5 mL recirculating co-rotating twin-screw extruder was used; the product melt temperature was read in line. PCZ ASDs were extruded at melt temperatures of 125–175 °C; 30/70 BCL/PVPVA was extruded from the micronized-crystal mixture at 165 and 180 °C for 10 min at 50 rpm, described as minimal mechanical input. ·
- Assay. BCL was assayed by reversed-phase HPLC at 270 nm (method of Nageswara Rao 2008, ref 57) after TGA holds of 10–240 min and after 10-min extrusion, and the summed degradant peak area was compared; PCZ and IDM extrudates were assayed by their own HPLC methods. ···
Terms used on this page
- Tonset (also Tdeg): the temperature at which a TGA ramp is said to show the start of degradation; here read by the tangent method or as the temperature of 0.1, 0.5 or 1.0% mass loss.
- Tangent intersection: the crossing point of the flat baseline and a tangent to the falling part of the TGA curve; it lies part-way down the mass-loss step.
- Nonisothermal and isothermal TGA: heating at a constant rate versus holding at one temperature and following mass loss over time.
- Cumulative exposure: the combined effect of temperature and time on degradation.
- Undercooled liquid: a melt cooled below Tm without crystallizing; between Tg and Tm it can still nucleate and grow crystals.
- Assay: the drug content measured by HPLC, here as % of the expected amount; potency loss is 100 minus assay.
- Specific mechanical energy: the mechanical energy put into the melt per unit mass by the extruder screws.
03Main findings
The onset temperature depends on the heating rate and on how the curve is read
Slower heating and stricter criteria gave lower onsets, and per material the onset spread over 52–170 °C. Crystalline PCZ, IDM and BCL ranged over 285–376, 165–260 and 193–255 °C. ····
More detail
For every drug, polymer and ASD the onset fell when the ramp was slowed from 10 to 1 °C/min and when the criterion was tightened from the tangent to 1.0, 0.5 and 0.1% mass loss (Figs. 3, 4, 8, 11). For crystalline PCZ the onset ran from about 285 °C (1 °C/min, 0.1%) to 376 °C (10 °C/min, tangent); for IDM from 165 to 260 °C; for BCL from 193 to 255 °C, a spread of 91, 95 and 62 °C. · The polymers spread more: PVPVA 166–299, PVP K-30 147–199, Soluplus 168–295, HPMCAS 149–251, HPMC 160–330 and Eudragit EPO 156–264 °C (spreads of 52 to 170 °C). · The ASDs spread over 158–257 (PCZ/HPMCAS), 174–301 (PCZ/PVPVA), 175–273 (IDM/PVPVA, printed; the Fig. 11c bars reach down to about 153 °C) and 163–227 °C (BCL/PVPVA). ·· The authors read the rate dependence as proof that "exposure time plays a role" in degradation, which justifies isothermal testing, and judge that onsets from fast ramps read by the tangent method are "likely to overestimate acceptable processing temperatures". ·· Seen this way, the literature values for the three drugs (stable to 250 or 325 °C) reflect the method rather than the drug: in this work posaconazole was stable through the 130–200 °C HME range, but IDM began to lose mass just above its Tm and BCL lost mass from near its Tm. ··· The trend has exceptions: HPMC's 0.1% onset fell with faster heating, and the PVP K-30 high end comes from the 1.0% criterion rather than the tangent.
The tangent onset already means several percent mass loss
At the tangent onset the crystalline drugs had lost ≈10–21% of their mass, the polymers ≈0.3–16% and the ASDs ≈1–10%. ·
More detail
The mass already lost at the tangent onset (Fig. 5) was ≈9.7–11.9% for PCZ, ≈16–20% for IDM and ≈13–21% for BCL, depending on heating rate. The authors call this "well above any pharmaceutically acceptable level" and write that it exceeds 10% for all three drugs at every rate; the PCZ value at 1 °C/min (≈9.7%) is just under 10%. ·· For the polymers the value was ≈0.3–0.6% (PVP K-30), ≈3.5–4.7% (PVPVA, Soluplus, Eudragit EPO), ≈1.7–3.2% (HPMCAS) and ≈2.4–15.9% (HPMC), and the authors note that, except for HPMC, it hardly changed with heating rate even though the onset itself moved. · For the ASDs it was ≈1.0–3.0% (PCZ/HPMCAS), ≈2.8–3.8% (PCZ/PVPVA), ≈5.3–9.5% (IDM/PVPVA) and ≈3.1–4.2% (BCL/PVPVA). The abstract concludes that the tangent method "significantly overestimated" the onset of acceptable degradation while weight-loss thresholds "were more suitable"; for PVP K-30, though, the tangent onset fell below the 1.0% onset. ·
Neat amorphous PCZ and BCL crystallize; IDM does not, and amorphous IDM loses mass faster
After 1-h holds between Tg and Tm, PCZ and BCL showed melting on reheating; IDM showed none after 4 h at 130–150 °C. Over 4 h amorphous IDM lost more mass than crystalline IDM, ≈2.8 against ≈2.0% at 155 °C. ····
More detail
In DSC, PCZ held 1 h at 130, 140, 150 or 160 °C showed a melting endotherm near 172 °C on reheating (largest after 130 °C), and BCL held 1 h at 130–180 °C showed melting near 190–196 °C after every hold, with a crystallization exotherm on reheating after the 130 and 160 °C holds (Fig. 6). The authors conclude that a polymer "would be necessary" to keep these drugs amorphous for isothermal degradation tests. · IDM held 4 h at 130, 140 or 150 °C showed only its glass transition, so neat amorphous IDM "could be suitable" for such tests. · In isothermal TGA (Fig. 7), crystalline IDM kept ≈0.999–0.997 of its mass after 4 h at 130–150 °C and ≈0.980 at 155 °C, whereas amorphous IDM kept ≈0.9975 at 130 °C, ≈0.985 at 150 °C and ≈0.972 at 155 °C. The authors state that the amorphous form degrades faster "at all temperatures", as Carstensen and Morris found, and read the different curve shapes (near-linear for the crystal, accelerating for the glass) as "a change in degradation mechanism"; at 155 °C the crystal actually lost slightly more during the first ≈90 min. ··
Among the polymers, HPMCAS and Eudragit EPO lose the most mass
Over 130–200 °C and 4 h, PVPVA, PVP K-30, Soluplus and HPMC stayed below 2% loss, while HPMCAS and Eudragit EPO passed 5%. ·
More detail
In the isothermal maps (Fig. 9), PVPVA reached only ≈1% at 200 °C and 240 min, Soluplus ≈0.6–0.7%, HPMC ≈1.0–1.3% and PVP K-30 ≈1.3–1.5%; PVP K-30 crossed 1% after ≈26 min at 200 °C and at ≈152 °C by 240 min. · HPMCAS crossed 5% after ≈40 min at 200 °C and at ≈175 °C by 240 min (1% at ≈146 °C); Eudragit EPO crossed 5% only after ≈190 min at 200 °C, with 1% at ≈157 °C by 240 min. · The authors read the maps as a guide to suitable HME conditions for neat polymers and note that HPMCAS is known to release acetic and succinic acid under harsh extrusion; they add that mass loss "may not be" a complete indicator, since processing also changes molecular weight, rheology and dissolution. ···
In the ASDs the mass loss follows the polymer for PCZ and the drug for IDM and BCL
PCZ/HPMCAS lost far more than PCZ/PVPVA (about 1% at most), mirroring the two polymers; BCL/PVPVA was fastest, reaching 1% within 10 min at 180 °C, after 40 min at 165 °C and after more than 100 min at 155 °C. ····
More detail
PCZ/HPMCAS passed 5% after ≈65 min at 200 °C and at ≈181 °C by 240 min, close to neat HPMCAS (≈175 °C), while PCZ/PVPVA stayed near or below 1%, like neat PVPVA (Fig. 12a, b against Fig. 9d, a). ·· The authors conclude that "it is apparent" that the PCZ formulations' loss is driven by the polymer, so amorphous PCZ is thermally stable when dispersed in a polymer; HPLC of PCZ extrudates made at 125–175 °C gave 100–105% assay and no new impurity peaks. ·· The IDM/PVPVA and BCL/PVPVA maps do not resemble that of PVPVA, so their loss "must be primarily driven by the amorphous API". · IDM/PVPVA stayed below 1% for short times at all temperatures and for longer times at 160 °C and below (its 1% contour sits at ≈157 °C at 240 min), matching literature reports and the group's own extrudates. ··· BCL/PVPVA reached 5% after ≈17 min at 200 °C and at ≈166 °C by 240 min; for this drug the authors say time and temperature "must be chosen carefully". ·· The attribution to polymer or drug rests on the shape of the maps, not on chemical analysis.
Mass loss badly underestimates drug loss
30/70 BCL/PVPVA held 10 min at 180 °C lost under 1% of its mass but assayed 88.5 ± 0.4%; after 240 min the mass loss was ≈11% and the assay ≈58%. At 165 °C the 10-min assay was 92.63 ± 0.2%. ··
More detail
During the TGA holds the sample kept ≈99.1, ≈97.8, ≈95.9 and ≈88.7% of its mass after 10, 30, 60 and 240 min at 180 °C, and ≈99.8, ≈99.4, ≈98.7 and ≈95.4% at 165 °C (Fig. 13). The assay of the same exposures was 88.5 ± 0.4%, ≈82.1, ≈78.8 and ≈57.9% at 180 °C and 92.63 ± 0.2%, ≈88.8, ≈88.0 and ≈79.5% at 165 °C. · The authors conclude that "loss of volatiles does not predict the complete degradation profile", as Huang and co-workers found for gliclazide. · Mass loss is a percent of the whole sample (70% polymer) and assay a percent of the drug, so the comparison is not like for like, but even if all lost mass were drug the 10-min loss at 180 °C would be about 3% against 11.5% by assay.
Extrusion degraded the drug less than the TGA hold did
After 10 min of extrusion at 180 or 165 °C the assay was 95.0%, against 88.5 and 92.63% after 10 min in the TGA, and the summed degradant peak area was about 5-fold lower (0.3 against 1.5%; 0.07 against 0.34%). ··
More detail
Extrudates made at 180 and 165 °C (10 min, 50 rpm) assayed 95.0 ± 1.3 and 95.0 ± 0.4%; samples held 10 min in the TGA assayed 88.5 ± 0.4 and 92.63 ± 0.2%. ·· Total degradant peak area was 1.5 ± 0.3% (TGA) against 0.3 ± 0.1% (HME) at 180 °C and 0.34 ± 0.10% against 0.07 ± 0.01% at 165 °C, from the same set of peaks at ≈4.9, ≈5.2, ≈5.9, ≈8.8 and ≈12.4 min, absent from the standard and the physical mixture (Fig. 14). The authors call the extrudates "slightly less degraded" and describe the correlation between TGA and HME as limited. · The degradant peak areas are much smaller than the assay losses, and the paper does not discuss this mass balance.
04Further observations
- Large BCL crystals (93 µm) in a physical mixture shifted mass loss ≈10 °C higher than the ASD; micronized crystals did not. ·
- PVP K-30 lost only ≈2% between ≈150 and 200 °C and nothing more up to 300 °C. ·
- Polymer onsets at 5 °C/min by tangent roughly matched the Serajuddin series, except HPMC (≈330 °C here). ·
- Onsets of the PCZ ASDs were far below those of crystalline PCZ, and BCL/PVPVA onsets about 30 °C below crystalline BCL. ··
More detail
- Physical mixtures underestimate drug degradation. In 30/70 BCL/PVPVA, a physical mixture made with micronized BCL (D50 3.5 µm) lost mass like the ASD, but one made with large crystals (93 µm) lagged by about 10 °C at every heating rate (Fig. 10). The authors explain that crystals must first dissolve into the molten polymer, at a rate set by particle size, and the drug must then diffuse through the viscous melt, where a diffusion layer of about 8 µm has been measured for IDM; they therefore treat the ASD as the "worst-case scenario" for drug degradation and the right test article. ····
- PVP K-30 is the odd polymer. Its curves show a small ≈2% step between ≈150 and 200 °C and then stay nearly flat (≈2.0–2.6% total loss at 300 °C), whereas in the other five polymers the onset leads into a continued major mass loss. The literature onset of 171 °C (Gupta 2014, ref 27) therefore "likely does not reflect" its major degradation, which starts near 380 °C (Jablonski 2008, ref 36), although a 2% loss "may" still matter for appearance or dissolution. ···
- Polymer onsets against the literature. At 5 °C/min by tangent the onsets were ≈291 (PVPVA), ≈175 (PVP K-30), ≈286 (Soluplus), ≈213 (HPMCAS), ≈330 (HPMC) and ≈252 °C (Eudragit EPO), in "approximate agreement" with the Serajuddin series except HPMC, whose literature ramps stopped at 300 °C (Gupta 2016, ref 28; Meena 2014, ref 52). ··
- ASD onsets against the crystalline drugs. The authors write that PCZ ASD onsets were about 30 °C lower than crystalline PCZ, IDM/PVPVA slightly higher than crystalline IDM, and BCL/PVPVA about 30 °C lower than crystalline BCL; the printed PCZ ranges actually differ by 75–127 °C, and the IDM comparison depends on a low end that the figure does not support. ··· They explain the lower PCZ and BCL onsets by the polymer's own degradation (lowest onsets 149 °C for HPMCAS and 166 °C for PVPVA) plus the greater reactivity of the amorphous drug, and suggest PVPVA "may be more protective" to PCZ than HPMCAS and gives IDM "some protection", as reported for PVP with IDM (Ben Osman 2018, ref 11; Jelić 2019, ref 37). ··
- PCZ and IDM extrudates. PCZ extrudates assayed 100–105% with no new impurity peaks, and IDM extrudates were stable, per the supporting information (not supplied). ··
05How the authors connect the findings
More detail
- In a ramp, every material starts to lose mass at a lower temperature when heated more slowly; the authors take this as proof that time at temperature matters, and since HME converts the crystal to the amorphous state at a fixed temperature, isothermal heating is "directly translatable" to the process, provided shear or local heating does not accelerate degradation. ·
- The amorphous drug is expected to degrade faster than the crystal, but neat PCZ and BCL crystallize during holds between Tg and Tm, so a polymer is needed to keep them amorphous; a crystalline physical mixture would lag because the crystals must first dissolve and the drug diffuse, so the ASD is the worst case and also lets any drug–polymer interaction show. ·····
Polymer-driven loss. In the PCZ ASDs the mass-loss map follows the polymer (HPMCAS high, PVPVA low) → amorphous PCZ is stable over a wide range of conditions → HPLC of PCZ extrudates (100–105%) agrees. ··
Drug-driven loss. In the IDM and BCL ASDs the map differs from PVPVA → the drug drives the loss → IDM/PVPVA stays below 1% at 160 °C and below for long times, while BCL/PVPVA reaches 1% within 10 min at 180 °C, so its window must be chosen with a safety margin. ···
- Assay of TGA-exposed BCL/PVPVA shows far more drug loss than mass loss at every time point → TGA detects only volatile degradation → mass loss should be considered "only an indicator", and actual potency loss is "likely to be significantly higher". ··
- Samples held in the TGA were more degraded than 10-min extrudates; the authors suggest the 50 °C/min ramp and air cooling may lengthen the exposure to "up to twice" the hold and the nitrogen purge may sweep away volatile products and speed the reaction. In larger extruders shear and specific mechanical energy would add degradation, so TGA "alone would be far from sufficient". ···
What decides the reading. TGA sees only products that leave the sample, so its verdict depends on whether a drug degrades to volatile or non-volatile products, and on whether the drug or the polymer produces the mass loss. ···
Conclusion drawn. TGA "can provide a guide" to temperatures and formulations susceptible to degradation, but acceptable processing windows "should be defined by assay experiments"; the abstract adds that TGA methods "should be selected to generate highly sensitive outcomes" and that "caution should be applied" when extrapolating.
06What it means for formulation
- Choose sensitive TGA settings: slow ramps and weight-loss thresholds rather than a fast ramp read by the tangent. ·
- Test the drug as an ASD, not as a crystalline mixture, to see its degradation. ·
- Set the processing window by assay; at larger scale, shear adds to the thermal load. ··
- A 1% mass-loss limit can hide a drug loss of more than 10%; treat a TGA limit as an upper bound, not a safe window.
- In a PCZ–HPMCAS product the polymer, not the drug, may set the temperature limit.
More detail
- Nonisothermal onsets from fast ramps read by the tangent overestimate acceptable temperatures; weight-loss thresholds and slow rates give more sensitive estimates, and TGA methods "should be selected to generate highly sensitive outcomes". ·
- Isothermal TGA gives a more direct indication of chemical stability, and for an amorphous drug it should be run on an ASD, which keeps the drug amorphous and is the worst case for drug degradation. ··
- For neat polymers the isothermal mass-loss map is a guide to suitable HME conditions; suitable conditions exist even for HPMCAS and Eudragit EPO. ·
- For a sensitive drug such as BCL, time and temperature must be chosen with a safety margin, and acceptable windows should be defined by assay, covering both thermal and mechanical input. ··
- Specific mechanical energy at larger scale is an important parameter for the processing window.
- For 30/70 BCL/PVPVA a 10-min hold that lost under 1% of its mass had lost 11.5% of its drug. Any mass-loss limit applied to an ASD should be read on a drug basis (divide by the drug fraction) and then assumed to understate the loss further.
- The onset spread is large enough that the same material can look safe or unsafe at a given extrusion temperature depending only on test settings; reporting the rate and criterion with any onset is the minimum.
- With 75% polymer, PCZ/HPMCAS lost mass like HPMCAS (onset as low as 149 °C, over 5% after about 40 min at 200 °C), so the polymer can limit the extrusion window before the drug does.
- An early HPLC check at the intended melt temperature and residence time, including a mass balance, is cheap compared with relying on TGA.
07Open questions
- How do polymer changes under heat (molecular weight, polydispersity, rheology) relate to TGA results and product performance?
- How much do shear and specific mechanical energy add to degradation at larger scale? ·
- What are the BCL degradants, and where did the lost drug go?
- Only one drug was assayed after TGA holds.
More detail
- Polymer degradation is "worthy of future investigation", relating TGA predictions to degradation extent and to product attributes such as physical stability and dissolution.
- The mechanism by which a polymer stabilizes or destabilizes a drug chemically is "complex, and worthy of investigation".
- In larger continuous extruders, higher specific mechanical energy and local heating may add degradation that TGA cannot predict. ·
- The BCL degradants were not identified, and the summed degradant peak area (0.07–1.5%) is far below the assay loss (5–11.5% after 10 min); the mass balance is open.
- No drug assay was done after TGA holds of the PCZ or IDM ASDs, so the polymer-versus-drug attribution of mass loss rests on map shapes.
- Whether the ASDs stayed amorphous during the 4-h holds up to 200 °C was not checked.
- The explanations for the harsher TGA exposure (thermal history, nitrogen purge) were not tested, and only one extrusion condition per temperature was run. ·
- The supporting information with the PCZ and IDM extrusion data was not supplied for this card.
08How solid
AI assessment, not a statement made in the paperThe dependence of TGA onsets on heating rate and criterion is shown directly for 13 materials. The central warning, that mass loss underestimates drug loss, rests on one drug–polymer pair, compares mass and assay on different bases and lacks a mass balance, and several text summaries disagree with the figures. ·······
More detail
- Onset values for all 13 materials at four rates and four criteria are plotted and agree with the printed ranges, apart from IDM/PVPVA. ···
- The mass already lost at the tangent onset is shown for every material and rate.
- The assay–mass-loss gap for BCL/PVPVA is large (11.5% against under 1% at 10 min, 180 °C), measured in triplicate at two temperatures and four times, and persists on a drug basis. ··
- The DSC evidence that neat PCZ and BCL crystallize within 1 h is direct.
- The assay comparison covers one drug–polymer pair; the PCZ and IDM ASDs were not assayed after TGA holds, and the polymer-versus-drug attribution rests on map shapes.
- Degradant peak areas account for a small fraction of the assay loss, and the assay basis is not defined. ·
- Text and figures disagree: the IDM/PVPVA low end (175 °C printed, ≈153 °C in the figure), the "about 30 °C" drop for the PCZ ASDs (75–127 °C in the printed ranges), more than 10% loss at the tangent (≈9.7% for PCZ at 1 °C/min), and the abstract's "onset temperature that ranged from 52-170°C" (these are spreads). ···
- Crystalline-drug and ASD onsets use different normalization points, so their comparison mixes baselines.
- The ASDs' solid state after holds, the number of nonisothermal replicates and the shear in extrusion were not reported. ··
- The supporting information was not available for this card.
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) |
|---|---|---|---|
| Fig. 1 (p.5) | Structures of the three drugs and six polymers. | 0.2 | A schematic, not data. |
| Table I (p.6) | Molecular weight, Tm and Tg of drugs, polymers and ASDs.· | 0.2 | |
| Fig. 2 (p.9) | Temperature programmes of the nonisothermal and isothermal TGA methods.· | 0.2 | A schematic, not data. |
| Fig. 3 (p.12)key figure | Onsets of the crystalline drugs fall at slower ramps and stricter criteria.· | F1, K1 | BCL low ends sit at Tm because of the normalization point. |
| Fig. 4 (p.13)key figure | Summary of the onset spread for every material. | F1, K1 | The printed IDM/PVPVA low end is not supported by Fig. 11c. |
| Fig. 5 (p.14)key figure | Mass lost at the tangent onset, the basis for calling the tangent too lenient. | F2, K2 | PCZ at 1 °C/min is ≈9.7%, not above 10%. |
| Fig. 6 (p.16)key figure | Neat PCZ and BCL crystallize during 1-h holds; IDM does not in 4 h. | F3, K3 | |
| Fig. 7 (p.17)key figure | Amorphous IDM loses more mass than crystalline IDM over 4 h. | F3, K4 | At 155 °C the crystal loses slightly more during the first ≈90 min. |
| Fig. 8 (p.18) | Polymer curves and onsets: rate and criterion dependence, PVP K-30's small step.· | F1 | HPMC 0.1% onsets fall with faster heating; PVP tangent below the 1.0% onset.· |
| Fig. 9 (p.20)key figure | Isothermal maps: four polymers below 2%, HPMCAS and Eudragit EPO above 5%. | F4 | |
| Fig. 10 (p.22)key figure | Large crystals delay mass loss by about 10 °C, so the ASD is the worst case. | 0.4 | |
| Fig. 11 (p.23)key figure | ASD onsets by rate and criterion. | F1 | 0.1% bars of IDM/PVPVA lie below the printed range. |
| Fig. 12 (p.25)key figure | ASD maps used to attribute mass loss to polymer (PCZ) or drug (IDM, BCL). | F5, K5 | Attribution by map shape only. |
| Fig. 13 (p.26)key figure | Assay far below mass remaining for BCL/PVPVA; extrudates less degraded.· | F6, K6 | Mass and assay are on different bases. |
| Fig. 14 (p.27)key figure | Degradant peaks about 5-fold larger after the TGA hold than after HME. | F7, K7 | Peak areas far below the assay loss. |
| Graphical abstract (p.35) | Why the ASD is used and that TGA sees volatiles only.· | header | A schematic with a data panel copied from Fig. 12c. |
| Fig. S1, Tables S1–S2, Figs. S2, S4–S6 (SI) | Extruder schematic, PCZ and IDM extrusion conditions and assays, PCZ chromatograms, raw isothermal curves; not supplied. | 0.4 |