Paper page

Original: publisher page

Laura I. Mosquera-Giraldo, Niraj S. Trasi, Lynne S. Taylor* · International Journal of Pharmaceutics 461, 251-257 (2014)

Impact of surfactants on the crystal growth of amorphous celecoxib

In melt-quenched amorphous celecoxib, 10% of any of three surfactants made crystals grow faster, most of all at low temperature, while 10% PVP slowed growth more than tenfold; together, PVP mostly offset the surfactants, and PVP with TPGS grew slowest of all.

Abbreviations

ASD amorphous solid dispersion; DSC differential scanning calorimetry; FTIR Fourier transform infrared spectroscopy; PVP poly(vinylpyrrolidone) K-12; SLS sodium lauryl sulfate (called SDS, sodium dodecyl sulfate, in the Discussion); SP sucrose palmitate; TPGS d-alpha tocopheryl polyethylene glycol 1000 succinate; Tg glass transition temperature; Tm melting temperature; T − Tg growth temperature minus the Tg of the system; XRD X-ray diffraction.

Story. Why they did it → how → what they found → how it fits together → what is left. Each part opens with the short version; "More detail" under it gives the full account. Grey ids open the evidence behind a sentence.

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Question

Do the surfactants used in amorphous solid dispersions (SLS, TPGS, sucrose palmitate) change how fast crystals grow in amorphous celecoxib, alone and together with PVP?

Short answer

Yes. All three raised the growth rate, TPGS by about two orders of magnitude at 70 °C, whereas PVP lowered it more than tenfold. With PVP present, SLS and sucrose palmitate (below 100 °C) still raised it, but TPGS lowered it further, an advantage that shrinks on cooling. ······

Conclusion

The authors conclude that the effect of surfactants on celecoxib growth from the supercooled liquid is complex: little effect near 120 °C and faster growth than celecoxib alone at lower temperature, "at least for the surfactants that were miscible". · They read TPGS and sucrose palmitate as miscible additives that lower Tg by about 10 °C, so that their main effect is "most likely" on molecular mobility, and SLS as "largely immiscible" with little effect. ··· With PVP present the polymer "in general" reduced the acceleration, but the ternary systems were "highly complex": PVP plus TPGS was the most stable system "at least at higher temperatures", and with 3–7% PVP its advantage reversed below 90–110 °C. ··· Two links were proposed but not measured: molecular mobility itself, and the smaller crystallization driving force from melting-point depression, which "could contribute" to the slow growth with PVP plus TPGS. · They recommend testing each formulation component alone and in combination, because combined effects are "currently difficult to predict". · All results concern one drug, 10% surfactant, PVP K-12 and growth between 70 and 120 °C. ··

01Why this study

Known 1The amorphous advantage can crystallize away

Amorphous drugs dissolve faster and reach a higher transient solubility, but can convert to the crystal and lose that gain.

Hancock and Parks 2000, ref 12; Otsuka and Kaneniwa 1988, ref 18

Known 2Polymers slow crystallization

Polymers raise Tg and bind the drug; stronger drug–polymer hydrogen bonding goes with stronger inhibition of crystal growth.

Kestur and Taylor 2010, ref 15; Kestur et al. 2011, ref 16 ·

Known 3Surfactants are common in ASDs

They serve as plasticizers for melt extrusion and to improve release.

Ghebremeskel et al. 2006, ref 9; Qi et al. 2013, ref 19

Gap → this paperDoes a surfactant in an ASD change how fast the amorphous drug crystallizes?
More detail

The paper cites by author and year; ref N below is the entry's position in the printed, unnumbered reference list (1 = Aljaberi 2013 … 28 = Zhu 2008).

What was already known. The introduction builds on these points:

  • Why amorphous. Many new drugs are poorly water-soluble. Formulating the drug as an amorphous solid typically raises its dissolution rate and transient solubility, because the amorphous form has a higher free energy. (Hancock and Parks 2000, ref 12; Hancock and Zografi 1997, ref 13)
  • Why it fails. The same high free energy makes the amorphous drug liable to convert to the crystal, which removes the solubility advantage. (Otsuka and Kaneniwa 1988, ref 18)
  • How polymers help. Miscible polymers are blended in to keep the formulation amorphous during processing and storage. Their stabilizing effect has been attributed to an antiplasticizing rise in Tg (Khougaz and Clas 2000, ref 17; Van den Mooter et al. 2001, ref 26) and to specific drug–polymer interactions (Andrews et al. 2010, ref 2; Gupta et al. 2005, ref 11, on celecoxib–PVP; Kestur and Taylor 2010, ref 15).
  • Hydrogen bonding and growth. Studies varying polymer chemistry "strongly support" a correlation between the strength of drug–polymer hydrogen bonding and the extent of crystal growth inhibition in supercooled liquids. (Kestur and Taylor 2010, ref 15; Kestur et al. 2011, ref 16)
  • Surfactants in ASDs. Real formulations contain further excipients for dissolution, flow and other properties (Aljaberi et al. 2013, ref 1; Ghosh and Michniak-Kohn 2012, ref 10; Rojas et al. 2012, ref 20; Szuts et al. 2011, ref 22). Surfactants act as plasticizers in melt extrusion (Ghebremeskel et al. 2006, ref 9) and improve release from the polymer matrix (Qi et al. 2013, ref 19); polymer–surfactant interactions can give very stable dispersions of amorphous colloidal particles (Chari et al. 1999, ref 7); sucrose esters have been reviewed as useful surfactants (Szuts and Szabo-Revesz 2012, ref 24).
  • The gap. Despite this use there were "few, if any" studies of how a surfactant affects the crystallization kinetics of the dispersion; the abstract calls it "largely unexplored".

What the paper set out to do. Measure how three surfactants change the crystal growth rate of celecoxib from an amorphous matrix, with and without a polymer, as a step toward knowing which polymer–surfactant combinations give dispersions that resist crystallization. ···

02How they approached it

One drug, three surfactants and one polymer, each at 10% (w/w), alone and as surfactant–PVP pairs; the growth rate of seeded crystals was measured from 70 to 120 °C, and DSC, FTIR and XRD were used to explain the differences. ····

Celecoxibpoorly water-soluble anti-inflammatory drugThe model drug; Tg 55.34 °C, Tm 163.46 °C; classed as a slow crystallizer. Measured. ··
PVP K-12polymerRaises Tg to 62.40 °C at 10%; hydrogen-bonds to celecoxib. Measured at 10%, and at 3, 5 and 7% with and without TPGS. ···
SLSsodium lauryl sulfate; SDS in the DiscussionLeaves Tg at 55.53 °C; read as largely immiscible. Measured at 10%. ··
TPGStocopheryl polyethylene glycol 1000 succinateMelts at 37–41 °C (cited); lowers Tg to 44.81 °C; shifts the celecoxib NH band. Measured at 10%. ··
Sucrose palmitatesucrose ester surfactantMelts at 48 °C (cited); lowers Tg to 44.46 °C; no NH shift. Measured at 10%. ··
Surfactant–PVP ternaries10% surfactant + 10% PVP + 80% celecoxibTg 44.17–51.47 °C; celecoxib Tm lowered by up to 12 °C. Measured. ···

What was done

Experiment

Cryomilled 90:10 binary and 80:10:10 ternary powders→melted between cover slips→quenched to a glass.·

↓
Experiment

Glass edge seeded with celecoxib crystals→front followed by polarized microscopy at 70–120 °C→radial growth rate.··

Experiment

3, 5 and 7% PVP with and without 10% TPGS→growth rate at 80–120 °C.·

↓
Experiment

DSC→Tg and celecoxib Tm of each mixture.·

Experiment

FTIR of 50% surfactant films and of PVP mixtures→NH and C=O band shifts.······

Experiment

XRD of crystals grown with each surfactant→polymorph.·

↓
Analysis

Growth rates replotted against T − Tg→how much of the surfactant effect is a Tg effect.·

More detail

What was done

  1. Mixtures. Celecoxib (starting form III) was cryomilled with 10 wt.% PVP K-12 or 10 wt.% of one surfactant (binary, 90 wt.% drug), or with 10 wt.% surfactant plus 10 wt.% PVP (ternary, 80 wt.% drug). A second series held 3, 5 or 7% (w/w) PVP with or without 10% TPGS; its preparation is not described. ···
  2. Growth rate. 2–4 mg of mixture was sandwiched between two 18 mm × 18 mm cover slips, melted (170 °C as printed), quenched to room temperature and seeded at the edge with celecoxib crystals. On a hot stage the advancing front was photographed under crossed polarizers; the slope of front position against time gave the radial growth rate (µm/s), in triplicate at each temperature. The sandwich removes the free surface, so the rates are bulk growth. The methods state 80–120 °C, but Figs. 2 and 3 also show 70 °C. ···
  3. Thermal analysis. DSC at 10 °C/min gave the celecoxib melting point in each mixture on first heating, and the Tg of the dispersion on reheating after cooling at 15 °C/min. ·
  4. FTIR. Celecoxib–surfactant mixtures at 50% surfactant, a level chosen to make interactions visible, were spin-coated from ethanol (TPGS) or dichloromethane (sucrose palmitate) under nitrogen; the SLS mixture was measured by ATR because SLS dissolves poorly in organic solvents. The compositions of the PVP samples are not given. ·
  5. XRD. Crystals grown from the melt between cover slips with each surfactant were compared with those grown from pure celecoxib.
  6. Tg normalisation. Each growth-rate curve was replotted against T − Tg, using the Tg of that system from Table 1 (Fig. 7). ·
Terms used on this page
  • Radial growth rate: the speed (µm/s) at which the crystal front advances into the amorphous film.
  • Supercooled liquid: the amorphous drug above its Tg, where molecules are mobile but the crystal is the stable form.
  • Glass transition temperature (Tg): below it the amorphous solid is a rigid glass; at a fixed temperature, a lower Tg means higher molecular mobility.
  • Plasticizer and antiplasticizer: an additive that lowers, or raises, the Tg of the mixture.
  • Melting point depression: a lower melting point of the drug in a mixture; it means a smaller free-energy gain on crystallization, a smaller driving force.
  • Thermodynamic and kinetic control: near Tm growth is limited by the small driving force; further below Tm it is limited by low molecular mobility.
  • Form III and form I: two crystal forms (polymorphs) of celecoxib; form III is the starting material.
Fig. 1: Structures of the three surfactants, celecoxib and PVP
Fig. 1 · p.252 · Structures of the three surfactants, celecoxib and PVPShows. (a) sucrose palmitate, (b) SLS, (c) TPGS, (d) celecoxib with its sulfonamide NH2, (e) PVP.

03Main findings

1

Every surfactant speeds up growth; PVP slows it more than tenfold

Relative to celecoxib alone, 10% PVP cut the growth rate about 20–40-fold at every temperature. At 70 °C TPGS raised it about 85-fold (text: about two orders of magnitude), sucrose palmitate about 7-fold and SLS about 1.5-fold; near 120 °C all three were close to the pure drug. ··

Fig. 2: Growth rate of celecoxib alone and with 10% PVP or 10% surfactant
Fig. 2 · p.253 · Growth rate of celecoxib alone and with 10% PVP or 10% surfactantShows. log growth rate against temperature; PVP (red squares) far below the drug (blue diamonds); TPGS (purple crosses) far above at 70 °C, converging near 120 °C.Read it as. each decade on the y-axis is a factor of ten in growth rate.Also supports K1, K2
More detail

Pure celecoxib grew at about 0.002 µm/s at 70 °C and about 12 µm/s at 120 °C, an "exponential type" rise with temperature (all rates read from Fig. 2, log axis). The authors note that celecoxib grows fast compared with indomethacin and felodipine, yet was hard to nucleate, which they take to mean a low nucleation rate, "most likely" the reason it is classed as a slow crystallizer. ····· With 10% PVP the rate fell to about 0.0001 µm/s at 70 °C and 0.42 µm/s at 120 °C, 19–38 times below the pure drug across the range; the authors state "more than one order of magnitude". ·

Each surfactant raised the rate. TPGS had the largest effect: about 0.17 µm/s at 70 °C, about 85 times the pure drug, shrinking to about 1.4 times at 120 °C. Sucrose palmitate was about 7 times faster at 70 °C, but at or below the pure drug at 110–120 °C. SLS was 1.5–3.3 times faster from 70 to 110 °C and about equal at 120 °C. ·· The authors rank TPGS > sucrose palmitate > SLS, call the SLS effect "relatively minor", and note that for TPGS and sucrose palmitate the acceleration grows as temperature falls; on the plotted points the ranking holds at 70 and 80 °C, while from 100 °C SLS is faster than sucrose palmitate. ·· In the Discussion they generalise: the surfactants flatten the growth-rate curve, giving about the pure-drug rate near 120 °C and faster growth below, so their accelerating effect "appears" to increase at lower temperature.

2

TPGS and sucrose palmitate lower Tg by about 10 °C; SLS does not mix

Tg fell from 55.34 °C to 44.81 °C with TPGS and to 44.46 °C with sucrose palmitate, stayed at 55.53 °C with SLS and rose to 62.40 °C with PVP. FTIR showed hydrogen bonding with PVP, a shifted NH band with TPGS, no shift with sucrose palmitate and a simple sum of spectra with SLS. ····

Table 1: Tg and Tm of celecoxib and its mixtures
Table 1 · p.254 · Tg and Tm of celecoxib and its mixturesShows. TPGS and sucrose palmitate lower Tg by about 10 °C, SLS does not, PVP raises it; every additive lowers Tm.Also supports K3, K4
More detail

In DSC, 10% PVP raised Tg by about 7 °C (55.34 → 62.40 °C), TPGS and sucrose palmitate lowered it by 10.5 and 10.9 °C (to 44.81 and 44.46 °C), and SLS left it unchanged (55.53 °C). ····· In FTIR, the two NH bands of amorphous celecoxib (3364 and 3269 cm−1) lie higher than in the crystal (3335 and 3223 cm−1), which the authors read as weaker hydrogen bonding between celecoxib molecules in the glass. · With PVP the lower NH band moved to 3192 cm−1 and the PVP C=O band from 1681 to 1668 cm−1, read as celecoxib–PVP hydrogen bonding. · With TPGS the NH region became one broad band peaking near 3230 cm−1 (read from Fig. 6), a "considerable shift"; with sucrose palmitate no NH shift was seen, read as no major hydrogen bonding; the SLS blend spectrum was the sum of the two pure spectra. ····

From these data the authors conclude that TPGS and sucrose palmitate are miscible with celecoxib "to some extent", while SLS is "largely immiscible" and separates as a crystalline material at room temperature; the amorphous region of the SLS sample in Fig. 8c is speckled with fine particles. · The FTIR samples held 50% surfactant and were spin-coated, not melt-quenched like the growth samples. The low melting points of sucrose palmitate (48 °C) and TPGS (37–41 °C) "are expected to" mean low Tgs, so that these surfactants plasticize the mixture. ··

Fig. 6: FTIR NH region of TPGS, amorphous celecoxib and celecoxib–TPGS
Fig. 6 · p.254 · FTIR NH region of TPGS, amorphous celecoxib and celecoxib–TPGSShows. the two NH bands of amorphous celecoxib (b) merge into one broad band near 3230 cm−1 with TPGS (c).
3

Correcting for Tg narrows the surfactant differences but does not remove them

Plotted against T − Tg, the binary curves move closer together, which the authors read as an effect "most likely" on molecular mobility. Yet about 25 °C above Tg the binary rates still span about 0.014 to 0.17 µm/s, and PVP plus TPGS stays about two orders of magnitude below PVP. ··

Fig. 7: Growth rate against T − Tg
Fig. 7 · p.255 · Growth rate against T − TgShows. binary surfactant systems move toward pure celecoxib; TPGS plus PVP (orange circles) stays far below everything.Also supports K3
More detail

At the same temperature (70 °C) the binary systems spread about 85-fold, from about 0.002 µm/s (celecoxib) to about 0.17 µm/s (TPGS). Replotted at equal distance above Tg (Fig. 7), the spread at about 25 °C above Tg is about 12-fold (sucrose palmitate about 0.014, celecoxib 0.020, SLS 0.039, TPGS 0.17 µm/s) and about 4-fold at 65 °C above Tg (sucrose palmitate about 3.2 to SLS about 13 µm/s). TPGS still grows about 8 times faster than celecoxib at 25 °C above Tg, while sucrose palmitate stays 1.2–3.8 times below it. ··

The authors describe the corrected curves as "fairly close" and conclude that the main effect of these additives is "most likely" on the mobility of celecoxib molecules, as known for water, a small molecule with a very low Tg that speeds the growth of felodipine and indomethacin. ·· The correction does not bring the ternary systems together: at about 26–29 °C above Tg, PVP plus TPGS grows at about 0.00006 µm/s, against about 0.0063 for PVP, 0.0019 for sucrose palmitate plus PVP and 0.012 for SLS plus PVP. Molecular mobility itself was not measured.

4

With PVP present, TPGS gives the slowest growth of all systems

Against 10% PVP alone, adding SLS raised growth at every temperature and sucrose palmitate raised it below 100 °C, but TPGS lowered it: about 35 times slower at 120 °C, less than 2 times slower at 70 °C. ···

Fig. 3: Growth rate with 10% PVP plus each surfactant
Fig. 3 · p.253 · Growth rate with 10% PVP plus each surfactantShows. SLS plus PVP (green) above PVP alone (red); TPGS plus PVP (purple crosses) below it at every temperature.Also supports K5, K7
More detail

With 10% PVP present, SLS raised the growth rate about 2–20 times at every temperature (about 0.0020 against 0.0001 µm/s at 70 °C, 0.78 against 0.42 at 120 °C). Sucrose palmitate raised it at 70–90 °C (about 5.6 times at 70 °C) and lowered it at 100–120 °C (to about 0.15 of PVP alone at 120 °C). The authors call this averaging of surfactant and polymer effects "perhaps not surprising". ····

TPGS plus PVP grew more slowly than PVP alone at every temperature, from about 0.6 of PVP alone at 70 °C to about 0.03 at 120 °C (about 0.012 µm/s). The authors found this "unexpected" and call it the most stable of all systems, "at least at higher temperatures"; the Fig. 3 caption calls it a synergistic effect. ·· Tg does not rise: celecoxib–TPGS–PVP has a Tg of 44.17 °C, against 44.81 °C for celecoxib–TPGS, while its celecoxib melting point is the lowest of all (151.49 °C, 12 °C below the pure drug). ··· In the ternary the PVP C=O band moved slightly further, to 1661 cm−1. · At 120 °C its crystal grew as a large faceted plate, unlike the fibrous fronts of the other systems. ·

5

TPGS flattens the temperature dependence, so its advantage reverses on cooling

With 3, 5 and 7% PVP, the growth curve with TPGS is flatter than without, and each pair crosses, at 110, 100 and 90 °C; below the crossing the TPGS mixture grows faster. ···

Fig. 4: PVP at 3, 5 and 7% with and without 10% TPGS
Fig. 4 · p.253 · PVP at 3, 5 and 7% with and without 10% TPGSShows. each TPGS curve is flatter and crosses its PVP-only partner on cooling.Read it as. pairs are 3% (blue with TPGS, red without), 5% (green, purple), 7% (cyan, orange).Also supports K6
More detail

The authors tested lower PVP levels because the TPGS–PVP effect was so marked. At 120 °C TPGS lowered the rate (3% PVP: about 1.9 against 3.0 µm/s; 5%: 0.35 against 1.6; 7%: 0.073 against 0.66), but at 80 °C it raised it (3%: about 0.0089 against 0.0010; 5%: 0.0058 against 0.00067; 7%: 0.0010 against 0.00055). The paired curves therefore intersect, at 110, 100 and 90 °C for 3, 5 and 7% PVP (text; on the plot the 3% crossing lies just above 110 °C). ·· The authors conclude that the synergistic effect "only persists over a limited temperature range", and that below a temperature that falls as polymer content rises, the polymer-only system grows more slowly. They relate this to growth near Tm being driven by thermodynamics: the large melting-point depression with TPGS and PVP "could contribute" to slower growth at high temperature, where the driving force matters most. · With 10% PVP no crossing was reached down to 70 °C. · Tg and Tm of the 3–7% mixtures were not reported.

04Further observations

  • With SLS some form I grew; with TPGS and sucrose palmitate the crystals were the starting form III. ·
  • Every additive lowered the celecoxib melting point, by 1.7–4.5 °C alone and by 7.3–12.0 °C in the ternaries. ·
  • With SLS and PVP together Tg fell below both binaries; the authors read this as PVP making SLS more miscible ("appears"). ·
  • Celecoxib was hard to nucleate, yet grows fast compared with indomethacin and felodipine. ·
More detail
  • Polymorph check. One "possible explanation" for the surfactant effect, that a different polymorph grew, was tested by XRD of crystals grown from the melt. With TPGS and sucrose palmitate the pattern matched the starting form III; with SLS an extra peak near 8° 2θ showed that some form I had grown. No PVP-containing sample was examined. ···
  • Melting point depression. Tm fell from 163.46 °C to 158.97 (PVP), 161.78 (SLS), 160.74 (TPGS) and 160.98 °C (sucrose palmitate), that is by 1.7–4.5 °C (the authors say "around 3–4 °C"), and further in the ternaries, to 156.13 (SLS–PVP), 155.37 (sucrose palmitate–PVP) and 151.49 °C (TPGS–PVP). The authors read a lower Tm as a lower chemical potential of the liquid and a smaller driving force for crystallization. ····
  • Ternary Tg values. Adding PVP did not raise the Tg of celecoxib–TPGS (44.17 against 44.81 °C); celecoxib–SLS–PVP fell to 51.17 °C, below both celecoxib–SLS and celecoxib–PVP ("slightly unexpected"); only celecoxib–sucrose palmitate–PVP (51.47 °C) lay between its two binaries. · The authors' explanation for SLS: PVP "appears to increase the miscibility" of SLS, which melts at 80 °C and so should have a low Tg; the now-miscible SLS speeds growth, so the SLS ternary grows faster than celecoxib–PVP. ··
  • Nucleation. Celecoxib samples were "quite hard to nucleate" and were easily made amorphous by cooling the melt; the authors infer a low nucleation rate. ·
  • Growth fronts at 120 °C. Pure celecoxib and the PVP, SLS, sucrose palmitate–PVP and SLS–PVP samples grew fibrous, needle-like fronts; the amorphous region of the SLS sample was speckled with fine particles; TPGS–PVP grew a large faceted plate.
Fig. 8: Growth fronts at 120 °C
Fig. 8 · p.255 · Growth fronts at 120 °CShows. fibrous fronts for (a) celecoxib, (b) PVP, (c) SLS, (d) sucrose palmitate–PVP, (f) SLS–PVP; a large faceted plate for (e) TPGS–PVP.
Fig. 9: XRD of crystals grown with each surfactant
Fig. 9 · p.256 · XRD of crystals grown with each surfactantShows. (c) SLS has an extra peak near 8° 2θ (form I); (b) sucrose palmitate and (d) TPGS match (a) celecoxib form III.

05How the authors connect the findings

1In the range studied, growth is taken to be controlled mainly by molecular mobility; only near Tm does the thermodynamic driving force dominate. ·
↓
2An additive changes growth mainly if it mixes with celecoxib and so changes Tg. ··
↓
Miscible low-Tg surfactant (TPGS, sucrose palmitate)Mixes with celecoxib↓lowers Tg by about 10 °C↓more mobility↓faster growth, most at low temperature.··
Immiscible surfactant (SLS)Separates as a crystalline phase↓Tg unchanged↓"very little impact" on growth.·
PVPMiscible and hydrogen-bonded to celecoxib↓higher Tg↓growth slowed more than tenfold.·
PVP plus TPGSLargest melting-point depression↓smaller driving force↓slowest growth near 120 °C; the advantage fades on cooling as mobility takes over.··
What sets the switch point. Temperature, together with polymer level: with TPGS present, the PVP-only system becomes the slower one below 110, 100 or 90 °C for 3, 5 or 7% PVP. ·
Conclusion drawn. PVP "in general" offsets the acceleration caused by a surfactant, but the combined effect is "currently difficult to predict", so it is "clearly important" to test each component alone and in combination. ··
More detail
  1. Crystal growth from a supercooled liquid depends on a thermodynamic driving force, which is small near Tm and grows on cooling, and on molecular mobility, which falls steeply on cooling; near Tm growth is under thermodynamic control, at lower temperature under kinetic control. The authors assume that all their measurements lie in the range where growth "is expected to be mainly controlled" by the mobility of the drug. ·
  2. A small molecule with a low Tg that mixes with the drug lowers the Tg of the mixture, raises mobility and "can consequently enhance" growth, as water does. · The first question for each surfactant is therefore whether it mixes with celecoxib. ·

TPGS and sucrose palmitate. Both melt below 50 °C and are "expected to" have low Tgs; both mix with celecoxib "to some extent" and lower the Tg of the mixture by about 10 °C → they "appear to behave like small molecule additives" → growth rises, most at low temperature, where mobility limits growth. After correction for Tg the rates are "fairly close", so the main effect is "most likely" on mobility. ····

SLS. SLS does not mix: Tg and Tm barely change, the micrograph shows separated particles, and its IR spectrum adds up with that of celecoxib → "as a consequence" it has very little effect on growth. With PVP added, both Tg and Tm drop, which the authors read as PVP increasing SLS miscibility ("appears"); the now-mixed SLS speeds growth relative to celecoxib–PVP. ··

PVP. PVP mixes with celecoxib (DSC "confirm") and hydrogen-bonds to it (FTIR "consistent with") → Tg rises 7 °C → growth slows "in line with expectations" for a polymer that hydrogen-bonds to the drug. ··

PVP plus TPGS. Tg does not rise, but the celecoxib melting point drops most (12 °C), which lowers the chemical potential of the liquid and the driving force ΔG; this "could contribute" to the low growth rates, "in particular at higher temperatures where the growth rate is more dominated by thermodynamic factors". Because the TPGS-containing curve is flatter, it crosses the PVP-only curve on cooling, and below the crossing the polymer alone is better. ···

What sets the switch point. The crossing temperature falls as PVP rises: 110, 100 and 90 °C for 3, 5 and 7% PVP; with 10% PVP no crossing occurred down to 70 °C. ··

Conclusion drawn. The impact of surfactants on growth "was found to be complex"; "in general the polymer was able to reduce the growth rate acceleration caused by the presence of surfactant"; for complex formulations it is "clearly important" to consider each component alone and in combination. ··

06What it means for formulation

Stated by the authors
  • Check what a surfactant does to physical stability during formulation, testing each component alone and in combination.
  • A surfactant that mixes with the drug and plasticizes it should be expected to speed crystal growth.
AI reading, not stated in the paper
  • The surfactant penalty grows on cooling, so high-temperature growth screens understate it at storage temperature.
  • The PVP–TPGS benefit seen near 120 °C need not hold at storage temperature. ·
More detail
Stated by the authors
  • The impact of a surfactant on the physical stability of an amorphous dispersion should be considered during formulation; for complex formulations, each component should be evaluated alone and in combination ("clearly important").
  • "In general", a surfactant that is miscible with the drug and has a plasticizing effect would be expected to increase the growth rate.
  • How growth rates change with both a polymer and a surfactant present is "currently difficult to predict"; more studies are "warranted".
AI reading, not stated in the paper
  • For TPGS the acceleration rises from about 1.4-fold at 120 °C to about 85-fold at 70 °C; if this trend continues toward storage temperature, the surfactant penalty there would be larger still. Screening a surfactant only by high-temperature growth would understate the risk. ·
  • The PVP–TPGS combination looks best at 100–120 °C, but its advantage shrinks on cooling (about 0.6 of PVP alone at 70 °C), and at 3–7% PVP it reverses below 90–110 °C. A melt-extrusion temperature result should not be carried over to storage without measuring there. ··
  • A drop in Tg of about 10 °C with only 10% surfactant matters most at storage temperature, where growth is most sensitive to mobility; choosing a surfactant that does not lower Tg, or adding enough polymer to restore it, is the obvious lever, but this paper did not test it. ·
  • SLS, though largely immiscible in the binary, became active once PVP was present; miscibility of a surfactant measured without the polymer may not predict its effect in the final formulation. ·

07Open questions

Raised by the authors
  • How do surfactants and polymers act on growth over a wider temperature range, and in other drugs and polymers?
  • How can growth be predicted when a polymer and a surfactant are both present?
Not covered by this paper (AI reading)
  • No data below 70 °C, where storage-relevant growth happens.
  • The polymorph growing in PVP-containing samples, including the faceted TPGS–PVP crystal, was not checked.
More detail
Raised by the authors
  • The opposing effects of surfactants and polymers on crystal growth should be explored over a greater range of temperatures and extended to other compounds and polymers.
  • How growth rates are affected by a polymer and a surfactant together cannot yet be predicted; additional studies are "warranted".
Not covered by this paper (AI reading)
  • Growth was measured only at 70–120 °C (about 15–76 °C above the Tg of the various systems); nothing was measured near storage temperature. ·
  • Molecular mobility, the proposed mechanism, was inferred from Tg and not measured (no relaxation or viscosity data).
  • The driving-force argument for PVP plus TPGS was not quantified (no ΔG calculation), and Tm depression does not order the other ternary systems. ·
  • The polymorph in PVP-containing samples was not checked, although TPGS–PVP grew a crystal unlike all others; SLS samples contained some form I.
  • Only one surfactant level (10%), one PVP grade (K-12) and one drug; the 3–7% PVP mixtures were not characterized by DSC. ·
  • Nucleation, the other half of crystallization, was not measured.

08How solid

AI assessment, not a statement made in the paper
Moderate

The binary growth-rate effects are large and direct, and the Tg replot agrees with the raw data; but several stated rankings fit only part of the plotted points, the mobility and driving-force explanations were not tested, and the main growth figures carry no error bars. ····

More detail
What holds
  • PVP lowering growth 19–38-fold and TPGS raising it about 85-fold at 70 °C are large effects, measured directly in triplicate. ·
  • PVP plus TPGS lies below PVP alone at every temperature from 70 to 120 °C. ·
  • The crossing temperatures fall regularly with PVP level, 110 → 100 → 90 °C.
  • Fig. 7 matches the rates of Figs. 2 and 3 shifted by the Table 1 Tg values.
What weakens it
  • The surfactant ranking (TPGS > sucrose palmitate > SLS) holds only at 70–80 °C, and SLS speeds growth up to about 3-fold, not "very little".
  • The Tg correction narrows but does not remove the binary differences, and it leaves the ternary systems far apart.
  • The melting-point argument does not order the ternary systems.
  • FTIR was done at 50% surfactant in spin-coated films; Tg differences under 1 °C are read as meaningful without replicate data; the stated single-additive Tm depression of 3–4 °C does not match Table 1. ··
  • The polymorph was not checked in PVP-containing samples, including the distinct TPGS–PVP crystal.
  • The methods and figures disagree on the temperature range, and the 3–7% PVP mixtures are not described. ·
  • Figs. 2, 3 and 7 show no error bars, although triplicates were measured. ·

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.

FigureWhat it does in the paperSupportsCheck (AI note)
Fig. 1 (p.252)key figureDefines the systems: structures of the three surfactants, celecoxib and PVP.····0.2SLS is drawn with a chain of about 19 carbons instead of 12.
Fig. 2 (p.253)key figureThe core result: surfactants raise and PVP lowers the growth rate, the surfactant effect largest at low temperature.F1, K1, K2The stated ranking holds at 70–80 °C only.
Fig. 3 (p.253)key figureThe ternary result: SLS and sucrose palmitate raise growth relative to PVP, TPGS lowers it.F4, K5, K7TPGS plus PVP is below PVP at every temperature, not only at high temperature.
Fig. 4 (p.253)key figureShows the flatter TPGS curves and their crossing with PVP-only curves at 3–7% PVP.·F5, K6Mixtures not described; legend symbol differs from plot.·
Table 1 (p.254)key figureTg and Tm of all eight systems, the basis of the miscibility and plasticization argument.F2, K3, K4No replicates; stated 3–4 °C Tm depression does not match.·
Fig. 5 (p.254)Celecoxib NH bands shift up on amorphization and down with PVP, read as hydrogen bonding with PVP.·F2Composition of the PVP sample not stated.
Fig. 6 (p.254)key figureThe celecoxib NH bands merge and shift with TPGS.F2Sample held 50% TPGS.
Fig. 7 (p.255)key figureTests the mobility idea: growth against T − Tg for all systems.F3, K3Binary spread remains about 12-fold; ternaries not discussed.
Fig. 8 (p.255)key figureGrowth-front morphology at 120 °C; speckled SLS matrix; faceted TPGS–PVP crystal.0.4Polymorph of the TPGS–PVP crystal not checked.
Fig. 9 (p.256)key figureRules out a polymorph change for TPGS and sucrose palmitate; detects some form I with SLS.0.4No PVP-containing sample measured.