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Tiêu đề Energetic and metabolic transient response of saccharomyces cerevisiae to benzoic acid
Tác giả M. T. A. P. Kresnowati, W. A. van Winden, W. M. van Gulik, J. J. Heijnen
Người hướng dẫn J. J. Heijnen
Trường học Delft University of Technology
Chuyên ngành Biotechnology
Thể loại báo cáo khoa học
Năm xuất bản 2008
Thành phố Delft
Định dạng
Số trang 15
Dung lượng 449,54 KB

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Nội dung

By assuming that benzoic acid is trans-ported by passive diffusion only, which holds when the benzoate exporter is not induced [1], the uptake rate of benzoic acid qHB; molÆkgDW1Æs1 can

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Saccharomyces cerevisiae to benzoic acid

M T A P Kresnowati*, W A van Winden, W M van Gulik and J J Heijnen

Department of Biotechnology, Delft University of Technology, The Netherlands

Benzoic acid is important for the food industries

Along with other weak acids such as sulfite and sulfur

dioxide, sorbic acid, acetic acid, propionic acid and

lactic acid, benzoic acid is used on a large scale as a

food preservative, preventing microbial spoilage in

foods and beverages

The optimum condition for this type of preservatives

is a low pH In acidic media, particularly at pH values

lower than the pKa (the dissociation constant) of the

weak acid, the acid is present mostly in its

non-dissoci-ated form, which is able to permeate cell membranes

Because of the high intracellular pH (6.4–7.5) [1–5],

the intruding non-dissociated acid will dissociate into

its anion with the release of a proton This results in

intracellular acidification [6] which affects the

homeo-stasis of metabolism such that substantial energy is required to overcome acidification by actively pumping out protons This energy-consuming process leads to a decrease in biomass yield, as observed previously [7]

At sufficiently high concentrations, benzoate has been reported to inhibit glycolysis [6,8,9] leading to a cessa-tion of growth Furthermore, it is also reported to cause oxidative stress in aerobically cultivated yeast [10]

However, some yeasts such as Saccharomyces cerevi-siae and Zygosaccharomyces bailii, both of which are known to be important food spoilage yeasts, are able

to adapt to the presence of these weak acids with a large energy expenditure and hence are able to increase their tolerance to these weak acids up to a certain

Keywords

adaptation; benzoic acid; chemostat;

transient; yeast

Correspondence

J J Heijnen, Department of Biotechnology,

Delft University of Technology, Julianalaan

67, 2628 BC Delft, The Netherlands

Fax: +31 15 278 2355

Tel: +31 15 278 2342

E-mail: j.j.heijnen@tudelft.nl

*Present address

Microbiology and Bioprocess Technology

Laboratory, Department of Chemical

Engi-neering, Bandung Institute of Technology,

Indonesia

(Received 2 January 2008, revised 29

August 2008, accepted 4 September 2008)

doi:10.1111/j.1742-4658.2008.06667.x

Saccharomyces cerevisiae is known to be able to adapt to the presence of the commonly used food preservative benzoic acid with a large energy expenditure Some mechanisms for the adaptation process have been sug-gested, but its quantitative energetic and metabolic aspects have rarely been discussed This study discusses use of the stimulus response approach to quantitatively study the energetic and metabolic aspects of the transient adaptation of S cerevisiae to a shift in benzoic acid concentration, from 0

to 0.8 mm The information obtained also serves as the basis for further utilization of benzoic acid as a tool for targeted perturbation of the energy system, which is important in studying the kinetics and regulation of cen-tral carbon metabolism in S cerevisiae Using this experimental set-up, we found significant fast-transient (< 3000 s) increases in O2 consumption and CO2 production rates, of  50%, which reflect a high energy require-ment for the adaptation process We also found that with a longer expo-sure time to benzoic acid, S cerevisiae decreases the cell membrane permeability for this weak acid by a factor of 10 and decreases the cell size

to  80% of the initial value The intracellular metabolite profile in the new steady-state indicates increases in the glycolytic and tricarboxylic acid cycle fluxes, which are in agreement with the observed increases in specific glucose and O2 uptake rates

Abbreviations

CER, CO2production rate; OUR, O2uptake rate.

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concentration This implies that, in order to

signifi-cantly inhibit the growth of these yeasts, a high dose

of weak acids would be required for food preservation,

whereas a low maximum concentration is permitted

It has been reported that these yeasts adapt to the

presence of weak acids by inducing an ATP-binding

cassette transporter, Pdr12, to actively expel the

accu-mulated ‘dissociated’ weak acids [11,12], and by

adapt-ing membrane permeability to these acids [13] This

reduces the passive diffusion of non-dissociated acid,

limits the influx of these weak acids and reduces their

effects on cell metabolism An overview of these

adap-tation mechanisms is shown in Fig 1

The fact that the presence of benzoic acid introduces

an independent ATP drain in cell metabolism may also

be of interest to those studying the regulation of cell

energetics and metabolism It offers the possibility to

perturb, in a targeted way, the ATP pool, which is

important in the in vivo kinetic evaluation of central

carbon metabolism However, to be able to perform

this kind of experiment, quantitative information on

the effect of benzoic acid on cell energetics and

metab-olism is required

Although some mechanisms for the adaptation to

benzoic acid have been suggested, little quantitative

data on this mechanism have been presented

More-over, studies have mostly been performed in shake

flask cultures [13,14], where the environment cannot be

tightly controlled or monitored Thus, changes

observed in the metabolism may be caused by changes

in multiple experimental parameters which complicate

interpretation of the results Also steady-state chemo-stat studies have been performed to examine the ener-getic aspects of growth in the presence of benzoic acid [7,15] However, adaptation is best revealed by a tran-sient study

This study presents the combined use of a well-defined, tightly controlled aerobic, glucose-limited chemostat system and the application of a stimulus– response approach to quantitatively study the tran-sient adaptation of S cerevisiae to benzoic acid An aerobic glucose-limited steady-state chemostat culture

of S cerevisiae was suddenly exposed to a certain extracellular benzoic acid concentration (a step change perturbation from 0 to 0.8 mm benzoic acid,

at pH 4.5) after which the transient response of the culture was monitored The analysis focuses on the quantitative energetic aspects of the transient adapta-tion, to reveal metabolic regulation and the perturba-tion of the central carbon metabolism To complete the analysis, fermentation characteristics and intra-cellular metabolite distributions in the two steady-state conditions, with and without benzoic acid, were also compared

Theory

Benzoic acid transport model

In solution, benzoic acid attains a pH-dependent equi-librium between the non-dissociated and dissociated forms,

Fig 1 The general response of S cerevisiae to benzoic acid (A) Benzoic acid enters cell via passive diffusion, the released proton is expulsed by an energy-consuming H + -ATPase (Pma1), whereas the dissociated benzoic acid may still introduce some toxicity; (B) induction

of ATP-binding cassette transporter Pdr12 to actively expel benzoate, the expulsion of benzoate causes a futile cycle of benzoic acid diffu-sion and subsequent active export; (C) changes in membrane characteristics to limit the influx of benzoic acid into the cell.

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HBÐ Hþþ B K¼CHþCB

CHB

ð1Þ

in which K is the benzoic acid dissociation constant,

HB is the non-dissociated form of the acid and B) is

the dissociated form (benzoate) Thus, for a certain

mea-surable total benzoate concentration (CB¼ CB þ CHB),

the fraction of the non-dissociated (protonated) state

can be calculated as

Cell membranes are normally permeable to the

non-dissociated form of relatively apolar weak acids,

there-fore such molecules can passively diffuse through cell

membranes By assuming that benzoic acid is

trans-ported by passive diffusion only, which holds when the

benzoate exporter is not induced [1], the uptake rate of

benzoic acid (qHB; molÆkgDW)1Æs)1) can be modeled

as:

qHB¼ k 6Vx

dx

ðCHB ex CHB inÞ ð3Þ

in which k (mÆs)1) is the membrane permeability

coeffi-cient for benzoic acid, CHBex and CHBin (molÆm)3) are

the extracellular and intracellular non-dissociated

ben-zoic acid concentration, Vx (m3ÆkgDW)1) is the cell

volume per gram dry weight of biomass and dx (m) is

the cell diameter The term (6· Vx⁄ dx) actually

consti-tutes the specific surface area of the cell (AX;

m2ÆkgDW)1) The values used in the calculation are

dx= 5· 10)6m [16], Vx= 2· 10)3m3ÆkgDW)1 and

k= 0.92· 10)5mÆs)1[1]

At a steady-state and in the absence of an active

exporter, the intracellular non-dissociated benzoic

acid is in equilibrium with the extracellular

non-dissociated benzoic acid and thus their

concentra-tions are equal Hence, following the dissociation

equation (Eqn 1) the ratio of total intracellular to

total extracellular benzoate concentration reflects

the difference in the intracellular and extracellular

pH as

CB in

CBex

¼ 10

pHinpKþ 1

10ð pHexpK Þþ 1 ð4Þ

It is known that benzoic acid is not metabolized by

yeast cells [1,17] Under this condition, the

accumu-lation of total benzoate inside the cells (CB in) can be

calculated from the total benzoate mass balance

Con-sidering that the fraction of the total cell volume is

negligible compared with the total broth volume,

CxÆVx>V, the total concentration of intracellular

benzoate can be calculated as

CBin¼CB0 CBex

CxVx

ð5Þ

in which CB0 is the initial total benzoate concentration

in the medium (CB0) By combining Eqns (4,5) we can calculate the intracellular pH (pHin) from the added⁄ initial total benzoate in the medium, the mea-sured extracellular total benzoate concentration, the biomass concentration and the extracellular pH (pHex)

CB0 CBex

CxVxCB ex

¼10

ðpH in pK a Þþ 1

10ðpHexpK a Þþ 1 ð6Þ

In the presence of a benzoate exporter, such as Pdr12, intracellular benzoate is actively exported, and this process consumes energy This leads to an increase

in the extracellular total benzoate concentration, a decrease in the intracellular total benzoate concentra-tion and addiconcentra-tional O2 consumption To maintain the intracellular charge balance, a proton is actively co-transported Assuming that 1 ATP is consumed for the export of each of these species, the defined P⁄ O ratio = 1.46 [17], and all benzoic acid which enters the cell via passive diffusion is exported, the influx of benzoic acid via passive diffusion can be related to the additional O2consumption (OUR – OUR0) as:

OUR OUR0

 2P=O ¼ 2qHBCxVL ð7Þ Here OUR0 is the O2 consumption rate (molÆs)1) in the absence of benzoate Equation 7 shows that the export of 1 mol of benzoate leads to an extra O2 con-sumption of 1⁄ (P ⁄ O) = 0.68 mol If the exporter were

to export benzoic acid instead of the benzoate anion, which does not lead to an intracellular charge imbal-ance, the export would lead to 0.34 mol of additional

O2consumption per mol of benzoate

Results

The benzoic acid shift experiment was performed using

an abrupt change in the total benzoate concentration

in the fermentor from 0 to 0.8 mm at a constant pH of 4.5 The steady-state characteristics of the fermentation prior to the shift experiment are shown in Table 1 It was calculated that the carbon and degree of reduction balances agree closely, with 97.6% carbon recovery and 96.1% degree of reduction recovery

Transient responses in the culture to the shift in ben-zoic acid concentration were followed in terms of extracellular metabolite concentrations, dissolved O2 and CO2 concentrations, off-gas O2 and CO2 concen-trations, biomass concentration (CX) and cell morphol-ogy Thereafter, a new steady-state was reached, characterized by a significantly lower biomass

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concen-tration and significantly higher specific rates of glucose

and O2consumption (Table 1)

Transient benzoic acid profile

Within 20 s of the shift in the benzoic acid

concentra-tion, the total extracellular benzoate concentration

decreased to 250 lm, which is 30% of the added

con-centration in the medium (Fig 2A) After  1 h, the

extracellular total benzoate concentration slowly starts

to increase and reaches a stable-steady concentration

of 650 lm, which is 80% of the added total

benzo-ate in the feed medium This steady-stbenzo-ate is reached

24–30 h after the start of the transient response

Transient O2and CO2profiles

O2 and CO2 concentrations (Fig 2B,C) respond

dynamically to the shift in benzoic acid concentration

Shortly after the shift, the O2 concentrations in both

the liquid and gas phases decrease rapidly After a

minimum value is reached, within 1000 s of the

benzo-ate shift, the O2 concentrations in both phases are

restored, overshoot and then slowly stabilize The new

steady-state condition, however, is only achieved

 30 h after the shift Opposing transient profiles are

observed for the CO2concentrations (Fig 2C)

Transient extracellular metabolite profiles

Consistent with the carbon-limited condition for the

chemostat culture, the residual glucose concentration

remains low after the shift in the benzoic acid

tration Within 1000 s of the shift, the ethanol

concen-tration increases from a very low residual

concentration of < 5–15 mgÆL)1 (Fig 2D) and is

shortly followed by an increase in the acetic acid

con-centration to 10 mgÆL)1 (Fig 2E) After 1000 s these

concentrations return to the steady-state values measured before the shift and remain low

Transient cell morphology

We also observed changes in cell morphology following the shift in benzoic acid concentration in the medium (Table 2) Cell-image analysis of broth samples taken during the transient condition at 18.7, 48.4 and 72.1 h following the shift in benzoic acid concentration indi-cates a negative trend in the cell-equivalent diameter, albeit not statistically significant due to the large stan-dard deviation Moreover, the cells elongate The latter can be inferred from the increase in the cell roundness index (the roundness is defined as the perimeter2⁄ [4· p · area], and the roundness of a circle = 1) and the increase in the cell aspect ratio index (the cell aspect ratio is defined as the ratio between the two axial diameters of the object, the aspect ratio of a circle = 1) (Fig 3)

Transient O2uptake, CO2production and biomass production rates

The observed rapid decrease in O2 concentration in both the gas and liquid phases and the rapid increase

in CO2 concentration in both phases following the shift in benzoic acid concentration reflect a rapid increase in both the O2 uptake rate (OUR) and the

CO2production rate (CER) (Fig 4A,B)

The maximum increase in the OUR calculated from the liquid-phase mass balance is 1.5-fold (from 80 to

120 mmolÆh)1), whereas a 1.8-fold increase (from 80 to

146 mmolÆh)1) is calculated from the combined liquid-and gas-phase balances As discussed in Experimental procedures, the OUR calculated from the liquid-phase mass balance is a better description of the fast dynamic condition Virtually the same dynamic pattern

is obtained for CER, which also increases 1.8-fold compared with the steady-state value, within 600 s of the shift Thereafter both OUR and CER slowly decrease to close to their previous steady-state values However, from  3000 s after the shift, the OUR and CER are observed to slowly increase again At the end

of the observation window,  72 h after the start of the transient, new steady values of 117 mmolÆh)1 for both OUR and CER (i.e a 1.5-fold increase compared with the initial steady-state values) are calculated During the observation the respiration quotient (RQ)

is always close to 1

Long-term OUR and CER profiles indicate a signifi-cant decrease in the biomass production rate (rX) (Fig 4C), such that at the new steady-state the

Table 1 Characterization of steady-state fermentation prior to and

after the shift in benzoic acid concentration C X , biomass

concentra-tion; l, specific growth rate; q O 2 , specific O2 consumption rate;

q CO 2 , specific CO2production rate, qS, specific glucose

consump-tion rate.

Benzoic acid concentration

Fermentation characteristics

Biomass concentration (kgDWÆm)3) 14.09 ± 0.17 7.81

q O 2 (mmolÆgDW)1Æh)1) 1.46 ± 0.06 3.76

q CO 2 (mmolÆkgDW)1Æh)1) 1.45 ± 0.04 3.72

qSglucose (mmolÆgDW)1Æh)1) 0.53 ± 0.01 0.96

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biomass production rate is calculated to be  65% of the initial steady-state value (110–170 mmolÆXÆh)1) Accordingly, the calculated biomass concentration has decreased from 14.9 to 9.6 kgDWÆm)3 (Fig 4D) This

is confirmed by the measured biomass concentrations (Fig 4D) which decrease by 10% from 14.1 to 12.7 kgDWÆm)3 within 5.3 h of the shift and by 55%, i.e to 7.8 kgDWÆm)3, at 72 h after the shift, when the experiment was finished The calculated biomass concentrations are 4–25% higher than the measured values However, it should be realized that the calcu-lated recoveries of carbon and the degree of reduction during the transient, using Eqns (14,15) and the experi-mental data of the biomass concentrations, OUR and CER are found to deviate respectively by 5–11 and

A

B

C

D

E

Fig 2 Transient responses to the shift in benzoic acid concentration (the timing of the shift is marked by a dashed vertical line) (A) Benzoic acid profile, (B) O2profiles in the liquid (gray solid line) and gas phase (black dashed line), (C) CO2profiles in the liquid (gray solid line) and gas phase (black dashed line), (D) ethanol concentration profile, (E) acetic acid concentration profile.

Table 2 Response in cell morphology following the shift in benzoic

acid concentration in the medium.

Age (h)

Equivalent

diameter a

Aspect ratio c

Sample number

0 4.94 ± 1.30 1.12 ± 0.11 1.25 ± 0.18 615

18.7 4.31 ± 1.24 1.14 ± 0.11 1.32 ± 0.21 474

48.4 4.38 ± 0.96 1.15 ± 0.12 1.36 ± 0.24 1180

72.1 4.06 ± 0.91 1.15 ± 0.11 1.47 ± 0.29 911

a

Equivalent diameter is the diameter of the cell if the cell is

assumed to be spherical b Roundness measures the shape of the

object, it is defined as (perimeter 2 · 1000) ⁄ (4 · p · area) The

roundness of a circle = 1 c Aspect ratio gives the ratio between

the two axes of the object The aspect ratio of a circle is similar to

the aspect ratio of a square = 1.

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5–28% Furthermore, the observed changes in cell

morphology and adaptation to benzoic acid may also

change cell structure and composition Hence the

assumption of constant biomass molecular mass may

not have been valid and may have introduced errors in

the calculated biomass concentration If this is the

case, the discrepancy in the total carbon balance

indi-cates up to 25% deviation in the cell molecular mass,

which is highly unlikely Another possible source of

the discrepancy in the total carbon and degree of

reduction balance is byproduct formation However,

the biomass production rates (rX) calculated from both

carbon and degree of reduction balances agree which

does not point to significant byproduct formation This

leaves us the possibility of systematic measurement

errors, particularly during the transient

During the entire observation period of 72 h after

the shift in benzoic acid concentration, the increase in

OUR and the decrease in biomass concentration in the

chemostat result in a strong and steady increase in the

biomass specific O2 consumption rate (qO 2) (see Fig 4E), reaching a final value which is 2.2-fold higher than the initial steady-state value During the first hour after the shift, the biomass concentration does not change significantly and the therefore the qO2 profile is similar to the OUR profile

The final steady-state increase in the specific O2and glucose consumption rates found in this experiment are comparable with the increase in specific O2 and glucose consumption rates between the chemostat

A

B

Fig 3 Microscopic cell image of S cerevisiae (A) before and (B)

after (72.1 h) the addition of benzoic acid to the culture.

A

B

C

D

E

Fig 4 Transient responses to the shift in benzoic acid concentra-tion (the timing of the shift is marked by a dashed vertical line) (A)

O2 consumption rate (OUR; the gray curve represents the short-term transient response OUR calculated from the liquid-phase bal-ance only), (B) CO2production rate (CER), (C) calculated biomass production rate (rX), (D) calculated and measured biomass concen-trations (C X ), black circles represent the measured values; for (C) and (D) both the calculated values from the total carbon balance (black lines) and from the degree of reduction balance (gray lines) are shown (E) Specific O 2 consumption (q O 2 , steady-state value is indicated by a gray dashed line).

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culture without benzoic acid and the chemostat culture

with a residual total benzoate concentration of 2 mm

[7] Although the total benzoate concentration in the

latter experiment is higher than in this study, those

experiments were performed at an extracellular of

pH 5.0, at which the non-dissociated benzoic acid

frac-tion is lower than at pH 4.5 as in the present study

The non-dissociated benzoic acid concentration which

corresponds to this condition is 0.27 mm, only 25%

higher than the non-dissociated benzoic acid

concen-tration of 0.21 mm in the present study with a total

benzoate concentration of 0.64 mm at an extracellular

pH of 4.5 In our experiments (l = 0.05 h)1) the

measured specific O2 consumption increases from 1.46

to 3.76 mmolÆh)1 (2.6-fold), whereas in Verduyn’s

experiments (at l = 0.1 h)1) it increases from 2.5 to

6 mmolÆh)1(2.4-fold)

Steady-state intracellular metabolite profiles

Intracellular concentrations of the intermediates of the

glycolytic, tricarboxylic acid cycle, and pentose

phos-phate pathway, as well as storage carbohydrate and

adenine nucleotides, were measured during the two

steady-state conditions, with and without benzoic acid

in the feed medium (Table 3) The values presented are

averages of six independent samples, each of which

was measured in duplicate The calculated standard

deviations of 5% indicate the quality of the

sample-processing method and the analysis

In the presence of benzoic acid, we observed

signifi-cantly lower amounts of ATP, ADP and AMP which

lead to a slightly higher energy charge level,

respec-tively 0.87 ± 0.004 and 0.85 ± 0.005 with and

with-out benzoic acid (Table 3) This is remarkable

considering the much higher ATP fluxes due to the

higher specific O2 consumption in the presence of

benzoate

For the glycolytic intermediates, we observed that

the presence of benzoic acid leads to increased levels

of fructose 1,6 bisphosphate (twofold) and

glyc-erol 3-phosphate (fivefold), as well as decreased levels

of the phospho-enol-pyruvate and

2-phosphoglycer-ate + 3-phosphoglycer2-phosphoglycer-ate pools, respectively, to 65

and 75% of their concentration in the absence of

benzoic acid (Table 3)

One striking difference between the two steady-states

is that the concentrations of the weak acids in the

tricarboxylic acid cycle (pyruvate, citrate,

a-ketogluta-rate, succinate, fumarate and malate) in the presence

of benzoic acid are all significantly higher

(1.4–9.9-fold) than those concentrations without the presence

of benzoic acid (Table 3)

Discussion

To study the transient behavior following the shift in benzoic acid concentration further, the analysis focused on two different time windows: short-term responses (0–3000 s) and long-term responses (> 3000 s) To complete the overview, comparison between the two steady-state conditions, with and without benzoic acid is presented first

Steady-state comparison with and without benzoic acid – increase in catabolism Comparison between the steady-state fermentation characteristics in the presence or the absence of benzoic acid shows that in general the presence of benzoic acid results in higher specific O2 consumption and glucose uptake rates, as well as a decrease in the biomass concentration These observations are

Table 3 Intracellular metabolite concentrations measured during the steady-state without and with 0.8 m M benzoic acid in the

medi-um, values are presented in lmolÆgDW)1, except for the energy charge and adenylate kinase mass action ratio which are dimen-sionless The values are an average of six independent samples.

Benzoic acid concentration

Adenylate kinase mass action ratio a

0.59 ± 0.03 0.74 ± 0.06

Glucose 6-phosphate 1.74 ± 0.08 1.59 ± 0.08 Fructose 6-phosphate 0.27 ± 0.01 0.25 ± 0.02

Glucose 1-phosphate 0.29 ± 0.01 0.34 ± 0.02 Mannose 6-phosphate 0.70 ± 0.02 0.71 ± 0.05 Trehalose 6-phosphate 0.22 ± 0.01 0.19 ± 0.00 Fructose 1,6-bisphosphate 0.16 ± 0.00 0.31 ± 0.01 Phosphoenolpyruvate 0.66 ± 0.02 0.43 ± 0.03 2-Phosphoglycerate ⁄

3-phosphoglycerate

0.81 ± 0.03 0.61 ± 0.03

Glucose 3-phosphate 0.01 ± 0.00 0.05 ± 0.00

a Adenylate kinase mass action ratio = (ADP) 2 ⁄ (ATPÆAMP) b Energy charge = (ATP + 0.5 ADP) ⁄ (ATP + ADP + AMP).

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supported by intracellular metabolite measurements.

The observed patterns of the glycolytic intermediates,

i.e a higher level of fructose 1,6-biphosphate and

lower levels of phospho-enol-pyruvate and the

2-phos-phoglycerate + 3-phos2-phos-phoglycerate pool in the

pres-ence of benzoic acid compared with in the abspres-ence of

benzoic acid (Table 3), are also commonly observed

as a response to a glucose pulse [18–20] and indicate

an increase in glycolytic flux in the presence of

benzoic acid The increase in glycolytic flux is

consis-tent with the calculated increase in the specific

glucose uptake rate (Table 1) Interestingly, the

pres-ence of benzoic acid also leads to a higher level of

glycerol 3-phosphate (fivefold), which may indicate a

higher cytosolic NADH⁄ NAD ratio The higher

NADH⁄ NAD ratio is verified by calculation of this

ratio from the lumped reactions of aldolase, triose

phosphate isomerase, glyceraldehydes-3-phosphate

dehydrogenase, phosphoglycerate kinase and

phospho-glycerate mutase, which gives a 1.7-fold increase in

the NADH⁄ NAD ratio in the presence of benzoic

acid The higher NADH⁄ NAD ratio is consistent

with higher glycolytic flux and also the higher specific

O2 consumption rate, which is probably stimulated by

the higher NADH⁄ NAD ratio By contrast, the

observed higher concentrations of the weak acids in

the tricarboxylic acid cycle in the presence of benzoic

acid reflect the much higher tricarboxylic acid cycle

flux

Overall, intracellular metabolite profiles show that in

the presence of benzoic acid cells accelerate their

catabolism to generate more energy to overcome the

ATP drain for exporting benzoate and protons It

con-firms the black box energetic observations of the

increased specific O2 consumption and glucose uptake

rates

Transient benzoic acid profile indicates the timing of benzoic acid transporter induction Fermentation was started without benzoic acid in the medium In this condition, we expect that the benzoate transporter, such as Pdr12p, is absent and benzoic acid will be in equilibrium inside and outside the cell following the intracellular and extracellular pH difference, as described in Eqn (4) Accordingly, intra-cellular pH can be calculated from the transient total benzoate profile Within the first 3000 s following the shift in the benzoic acid concentration intracellular pH

is calculated to be 6.44–6.65 This is in agreement with the reference value of steady-state intracellular pH for this yeast species [1], which shows that, within this time window, the benzoate transporter is not present and only equilibration by passive diffusion occurs

In the longer term, > 1 h following the shift, we observe that the extracellular total benzoate concentra-tion increases (Fig 5A) Accordingly, the intracellular total benzoate concentration, which is calculated from the measured extracellular total benzoate concentra-tion, decreases (Fig 5B) This may be explained by a decrease in intracellular pH, which shifts the distribu-tion of benzoic acid towards the extracellular compart-ment However, considering the tightly controlled pH homeostasis, it is not likely that cells permanently lower their intracellular pH Because the decrease in intracellular total benzoate concentration coincides with an increase in the O2 uptake rate (Fig 4A), it is more likely that this is caused by induction of the ben-zoate exporter If this is the case, the time required to induce the benzoate exporter observed in this study would be  3000 s, which is much faster than the pre-viously reported value of 28 h [5] at which the extru-sion of benzoic acid became apparent The observed

A

B

Fig 5 Benzoic acid concentration profile in response to the shift in the benzoic acid concentration (the timing of the shift is marked by a dashed vertical line) (A) Mea-sured extracellular total benzoate concentra-tion, (B) calculated intracellular total benzoate concentration.

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continuous increase in extracellular total benzoate

con-centration, from 3000 s to 24–30 h after the medium

shift, may indicate the slow completion of the

induc-tion of this transporter

Long-term transient response following the

shift in benzoic acid concentration – adaptations

in membrane properties and cell size to the

presence of benzoic acid

In order to study the adaptation of cells to benzoic

acid, we use the transient O2 consumption profile to

reconstitute the dynamics in benzoic acid transport, as

summarized in Fig 6 By assuming that the increase in

O2 consumption is the result of additional ATP

pro-duction needed to export protons and benzoate from

the cells, and that all the benzoic acid entering the cell

via passive diffusion is exported back into the medium,

the net influx of benzoic acid is reconstructed

follow-ing Eqn (7) As a comparison, the total, fermentor

scale, benzoic acid influx profile via passive diffusion

(=qHBÆCXÆVL) is also calculated from the available

extracellular and intracellular benzoic acid

concentra-tion profiles following Eqn (3), using the previously

determined membrane permeability value of benzoic

acid for S cerevisiae unadapted to benzoic acid,

0.92· 10)5mÆs)1[1] and by assuming that intracellular

pH is constant at 6.5, which is the averaged

intracellu-lar pH calculated during the short-term dynamics, as

discussed previously

In Fig 7 we show the calculation step by step

Figure 7A shows the driving force for the benzoic acid

passive diffusion (CHB ex CHBin) Figure 7B shows the

total membrane surface area (=AXÆCXÆVL) available for the benzoic acid transport during the transient observation based on the measured changes in the cell concentration (Fig 4D) and cell diameter (Table 2), and by assuming a constant biomass dry weight spe-cific volume (Vx= m3ÆkgDW)1) and that cells are spherical Figure 7C shows the expected total benzoic acid influx via passive diffusion Figure 7D shows the additional O2 consumption due to the addition of benzoic acid

Fig 6 Benzoic acid and benzoate transport model, at pseudo

steady-state condition the uptake rate of benzoic acid (qHB) and the

expulsion rate of benzoate (q B ) are equal k, membrane

permeabil-ity coefficient for benzoic acid; CHBrmex, extracellular non-dissociated

benzoic acid concentration; C HB in , intracellular non-dissociated

benzoic acid concentration; V x , cell volume per g dry weight of

biomass; d x , cell diameter; OUR, O 2 consumption rate; OUR0, O 2

consumption rate in the absence of benzoate; CX, biomass

con-centration; VL, liquid volume in the fermentor.

Fig 7 Modeling the long-term cellular response to benzoic acid (A) Undissociated extracellular (solid line) and intracellular (dashed line) benzoic acid concentrations profile, (B) changes in total cell surface area in the fermentor, (C) benzoic acid influx rate profile cal-culated via passive diffusion, (D) additional OUR profile, (E) appar-ent membrane permeability for benzoic acid.

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Figure 7C,D shows that the total benzoate influxes

calculated using the two methods do not agree The

ratio between the calculated benzoate influx via passive

diffusion and the additional O2 consumption rate is

 11 mol O2 per mol benzoate exported, which is

much higher than the expected value of 1.46 (see

Eqn 7) This discrepancy is very likely caused by

changes in cell membrane properties, which are

reflected by the change in membrane permeability for

benzoic acid The apparent membrane permeability

constant of benzoic acid (Fig 7E), which was

calcu-lated from the measured additional O2 consumption

(Fig 7D), transient total membrane surface area

(Fig 7B) and the driving force for the passive diffusion

of benzoic acid (Fig 7A), is much lower than the

pre-viously reported value estimated from unadapted cells,

and shows interesting dynamics, particularly within the

first 20 h ( 1 generation time) of the transient

response It is remarkable that such a decrease in

membrane permeability is achieved only within 1

gen-eration time and points to the associated genetic

regu-lation of the synthesis of membrane molecules, such

that the membrane composition of the adapted cell is

less permeable for benzoic acid This calls for an

anal-ysis of the transcript distribution and the analanal-ysis

of membrane composition during the adaptation to

benzoic acid

It is important to notice that the above calculation

was performed based on the assumption of a constant

biomass dry weight specific volume (Vx) As the cell

size decreases the cell reduces its organic mass (cellular

machinery) proportional to the cube of its diameter,

and reduces its surface area, which is proportional to

the square of the diameter This may indicate that,

along with the decrease in benzoic acid influx, which is

proportional to the cell surface area, the cell also

decreases its cellular machinery which may imply

decreases in metabolic flux This would make the

decrease in cell diameter a counterintuitive response

To verify what actually happens in the transition,

accurate measurement of cell volume distribution and

cell mass distribution are required

Overall, these long-term responses show that cells are

able to adapt to benzoic acid by decreasing their specific

surface area and their membrane permeability, in

agree-ment with previous observations by Warth [13]

Short-term transient response following the shift

in benzoic acid concentration–boost in energy

generation

The observed rapid increase in OUR and CER shortly

after the shift in benzoic acid concentration

(Fig 4A,B) indicates a fast flux rearrangement inside the cell It implies that more glucose is used for energy generation and that the glycolytic flux increases tempo-rarily This is supported by the observed transient increase in extracellular ethanol, which was followed

by a transient increase in extracellular acetic acid (Fig 2D,E) It is reported that ethanol production in

S cerevisiae is a direct consequence of the accumula-tion of pyruvate, which is the end product glycolysis [3] It should be noted that the increase in extracellular ethanol and acetate concentration is transient and the level is relatively small Thus, it may be safely assumed that the energy is generated from respiration

The timing of the previously discussed observations also provides other information about cell regulation The fact that the increase in ethanol concentration is observed before the increase in acetic acid concentra-tion and OUR, suggests that cells can rapidly increase the glycolytic flux, whereas the adjustment of respira-tion is slower As a consequence of the rapid increase

in glycolytic flux, the NADH concentration is rapidly built up, which triggers an increase in the rate of reac-tions consuming NADH, e.g alcohol dehydrogenase that synthesizes ethanol and oxidative phosphoryla-tion The increase in ethanol concentration shows the requirement of the cell to balance the fast NADH accumulation, which could not be directly accommo-dated by the oxidative phosphorylation The capacity

of the latter process increases later, and is observed as

an increase in OUR and CER as well as an increase

in acetate (ethanol is converted back to acetate and produces 2 NADH per mol ethanol)

It is interesting to note that under carbon-limited conditions S cerevisiae is rapidly able to increase the rate of O2 consumption by 1.5-fold It shows that, despite the constant feed rate of glucose in the glucose-limited chemostat, the cell can rapidly increase glucose catabolism Quantitative explanation of this phenom-enom is summarized in Fig 8 There are two possible explanations for the origin of the transient increase in glucose catabolism: a decrease in the biomass produc-tion rate allowing an increased channeling of glucose towards catabolism, or a temporary mobilization of storage carbohydrates

It is even more interesting to see that after the initial increase, O2 consumption is seen to rapidly decrease again, at  500 s after the shift experiment, almost reaching its initial steady-state value (Fig 4A) The observed dynamic pattern of the O2 consumption profile during this short transient of 0–3000 s, i.e a temporary increase followed by a decrease in the O2

consumption profile, is therefore most likely related to the mobilization of storage carbohydrate compounds

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