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Nuclear Instruments and Methods in Physics Research B 248 (2006) 1–6
www.elsevier.com/locate/nimb
a
School of Electrical Engineering, Shandong University, Jinan 250061, Shandong, PR China
b
Department of Physics, Shandong University, Jinan 250100, Shandong, PR China
Abstract
The systematic calculations of the stopping powers (SPs) for 0.05–10 MeV protons in a group of 10 important bioorganic compounds,
i.e. DNA, five bases, three fatty acids and cellulose, have been performed. The calculations are based on the dielectric model of Ashley
and on an evaluation of optical energy loss function (OELF) for the bioorganic compounds considered, most of which have no available
optical data. Higher-order corrections, Barkas-effect correction and Bloch correction, are included and a concise form of SP calculation
corresponding to Barkas-effect is presented by incorporating the evaluated OELF. Especially, the dependences of SP calculations on the
two choices of the minimum impact parameter a are analyzed in detail, and hence an appropriate parameter a is determined for organic
media. For the tested organic compounds the proton SPs calculated by use of the determined a are in excellent agreement with the tab-
ulated values based on experimental data. The presented data are the first results of the proton SPs for the 10 bioorganic compounds in
the energy range from 0.05 to 10 MeV, and might be useful for studies of various radiation effects in these materials.
Ó 2006 Elsevier B.V. All rights reserved.
0168-583X/$ - see front matter Ó 2006 Elsevier B.V. All rights reserved.
doi:10.1016/j.nimb.2006.04.073
2 Z. Tan et al. / Nucl. Instr. and Meth. in Phys. Res. B 248 (2006) 1–6
dielectric model are sparse. Ashley [15] developed an opti- obtained from experimental optical data. However, most
cal-data model to calculate the proton SP of the condensed of the bioorganic compounds under consideration have
matters including organic compound. Ashley’s approach no available optical data. The OELFs for these bioorganic
also took into account the higher-order corrections, i.e. compounds will be therefore evaluated using the approach
the Barkas-effect correction and the Bloch correction. By presented previously [14]. This approach may be outlined
extending Ashley’s model [15], Akkerman et al. [7] have as follows:
described a method to estimate the proton SP in 10 organic 8
< f1 ð
> hx; a; b; cÞ; hx 6 40 eV
compounds in the range of proton energies 50–500 keV. In
Im½1=eðxÞ ¼ f2 ð hx; y 0 ðaÞ; y 1 ; y 2 Þ; 40 eV 6
hx 6 50 eV ;
Akkerman et al’s calculation, the dielectric theory was used >
:
for the calculations of the SP from valence electron excita- f3 ð
hxÞ; hx P 50 eV
tion, and Gryzinski’s binary encounter theory [16] was ð4Þ
employed for those from the core-electron ionization, thus
where f1(⁄x; a, b, c) is a single Drude-type function given
resulting in a seemingly fragmentary model. A common
by the formula
feature of these two works is that the numerical evaluation
of optical energy loss function (OELF) needs to make use aðhxÞ
f1 ðhx; a; b; cÞ ¼ ; ð5Þ
of experimental optical data. ½ðhxÞ b2 2 þ c2 ðhxÞ2
2
0.8 scheme described in this work and choosing the two differ-
ent minimum impact parameters mentioned above, respec-
tively, we have calculated the proton SPs of polyethylene in
0.4
the energy range of E 6 10 MeV. The calculated SP as a
function of proton energy are presented in Fig. 2 whereas
the evaluations from Akkerman et al. [7] and the tabulated
values [17] are also displayed in this figure for comparison.
0.0
Similarly,pffiffiffiffiit is seen clearly that with the choice of a ¼
88:748= E the present calculations, compared to the tabu-
0 20 40 60 80 lated values, overestimate the SPs at the energies E 6
Photon energy (eV) 300
p ffiffiffiffiffiffi keV, the SPs calculated by adopting a ¼ 3:688=
Fig. 1. Comparison of the optical energy loss functions for guanine. (—) hx are consistent with those from Akkerman et al. [7],
evaluated from the empirical approach due to Eq. (4); (h) calculated from and both are smaller than the tabulated values in the
the experimental optical data [19]. regions of E 6 200 keV.
According to above calculations and comparisons, it is
approach. However, the influence of this very small differ- shown clearly that for organic compound and at the ener-
ence on the calculations of SP is ignorable. gies below 200 keV,pthe ffiffiffiffi proton SPs calculated with the
For the SP2 corresponding to the Bloch correction, it choice of a ¼ 88:748= E are considerably large and those
pffiffiffiffiffiffi
can be calculated from Eqs. (10) and (11) of [15]. obtained using a ¼ 3:688= hx are evidently small, when
In terms of the principles described in Ashley [15] for the compared with the tabulated values. This fact is of the
calculation of SP1, and especially utilizing above Eq. (8), enlighten significance, and thus motivate us to take a as
which the evaluated OELFs satisfy, the SP1 can be 88:748 3:688
a ¼ k1 pffiffiffiffi þ k2 pffiffiffiffiffiffi ; ð11Þ
expressed in a concise form E hx
1 where k1 and k2 are two weight coefficients to obey
SP1 ¼ 1:1079
ðE Þ 0 5=2 k1 + k2 = 1.
Z 4E0
From Eq. (11), it is clear that the two general choices for
2
ðhxÞ dð
hxÞIm½1=eðxÞIðnÞ ðeV=ÅÞ; ð9Þ a is two limit cases of Eq. (11), i.e. when k1 = 1 and k2 = 0,
0 a corresponds to the minimum impact parameter suggested
where n ¼ 5:811 phxffiffiE a, with a a minimum impact parameter
to be discussed later, I(n) is a tabulated function [20] and 16
this function may be approximated [15,21] by
8 14
>
> ð3p=2Þ lnð1=nÞ 2:417 2pn2 ½ðln nÞ2 polyethylene
>
< þ1:14 lnn 0:33n < 0:25 12
IðnÞ ¼ :
>
> ð0:5986 þ 0:9962=n 0:1233=n2 Þn3=4 0:25 6 n < 1
>
: 10
SP (eV/Å)
by Lindhard [23], and if k1 = 0 and k2 = 1, then a is that 50 keV. In Fig. 3(a), for mylar
pffiffiffiffi the SPs evaluated
pffiffiffiffiffiffi using
given by Jackson and McCarthy [22]. Therefore, the prob- the parameter a ¼ 88:748= E and 3:688= hx, respec-
ing calculations by taking different k1 and k2 under the tively, have also been given. Being similar to the cases
restriction of k1 + k2 = 1 have been done for polyethylene, pffiffiffiffi E < 200
pointed out above for polyethylene, at energies
and the calculated SPs are compared with the tabulated keV the stopping powers with a ¼ 88:748= E are obvi-
pffiffiffiffiffiffi
values [17]. We found empirically that the stopping powers ously large and those by use of a ¼ 3:688= hx are small,
evaluated with k1 = 0.6 and k2 = 0.4 are in close agree- compared with the tabulated values. It should be seen that
ment with the tabulated values except for those at energies at energies below 50 keV and with empirical parameter a,
below 50 keV, which is also shown in Fig. 2. In order to the deviation of the calculated SPs from the tabulated val-
further examine the reliability of proton SP calculations ues is still significantly large. Hence, as pointed out by
with the parameter a due to k1 = 0.6 and k2 = 0.4, we have Akkerman et al. [7], for these energies Lindhard’s SP the-
calculated the proton SPs of organic compounds, mylar, ory and its further improvements are preferable.
polystyrene, toluene and tissues-equivalent gas. These
organic materials are selected because their tabulated stop- 3. Proton stopping powers in a group of bioorganic
ping powers needed for comparison were available. In the compounds
energy range of E 6 10 MeV, the calculated SPs versus
proton energy for these compounds are plotted in Fig. 3 Based on above calculations and comparisons, we will
and compared with the tabulated values [17]. We can see adopt the empirical a value given by Eq. (11) with
that an excellent agreement between the SPs calculated k1 = 0.6 and k2 = 0.4 for the calculations of the proton
with empirical a and the tabulated values is obtained above SPs of 10 bioorganic compounds: DNA, adenine
12
16
14 10
(a) Mylar (c) Toluene
12
8
SP (eV/Å)
10
SP (eV/Å)
6
8
6 4
4
2
2
0 0
2 3 4 2 3 4
10 10 10 10 10 10
Proton energy (keV) Proton energy (keV)
14 0.014
SP (eV/Å)
8 0.008
6 0.006
4 0.004
2 0.002
0 0.000
2 3 4 2 3 4
10 10 10 10 10 10
Proton energy (keV) Proton energy (keV)
Fig. 3. Stopping power (SP) results as a function of proton energy for (a) mylar, (b) polystyrene, (c) toluene and (d) tissue-equivalent gas. (– – –)
Calculated with a from Lindhard [23]; ( ) calculated with a from Jackson and McCarthy [22]; (j) tabulated values [17]; (—) calculated with empirical a.
Z. Tan et al. / Nucl. Instr. and Meth. in Phys. Res. B 248 (2006) 1–6 5
(C5H5N5), guanine (C5H5N5O), thymine (C5H6N2O2), several tens of eV [19,25,26]. We can therefore obtain the
cytosine (C4H5N3O), uracil (C4H4N2O2), oleic acid OELF for these three bioorganic compounds in the follow-
(C18H34O2), linoleic acid (C18H32O2), arachidonic acid ing manner: for energies below 50 eV, the numerical OELF
(C20H32O2), cellulose (C6H10O5). Table 1 presents mass is calculated from experimental optical data and for ener-
density q, molecule weight M and mean atomic number gies larger than 50 eV the OELF is derived from atomic
Z of theses 10 bioorganic compounds. According to the photoabsorption data of Henke et al. [18]. For the other
composition of the base of the sodium salt of calf thymus compounds lacking experimental optical data, the OELF
DNA [25], an equivalent unit of the DNA molecule has is evaluated from Eq. (4).
been constructed. This equivalent unit consist of 58% A– Applying Eq. (4), the evaluated OELFs satisfy the f-sum
T (adenine–thymine base pair) and 42% G–C (guanine– rule naturally. Usually, another check for the accuracy of
cytosine base pair). the approach to evaluate OELF is to calculate the mean
In the 10 bioorganic compounds considered, for only ionization potential I by using the OELF, i.e.
guanine, DNA and adenine were the experimental optical Z 1
2
data available in the range of photon energies lower than ln I ¼ 2
ðhxÞIm½1=eðxÞ lnðhxÞdðhxÞ: ð12Þ
pZðhXp Þ 0
From Eq. (12), the I values for these 10 bioorganic com-
Table 1
pounds have been calculated and listed in Table 1. In addi-
Material parameters and I values for 10 bioorganic compounds
tion, the corresponding I values expected by Bragg’s
Material q (g/cm3) M Z I (eV)
additive rule are also displayed in Table 1. It is clear that
Calculated Expected the calculated results show a good agreement with expected
DNA 1.35 662 5.185 86.64 90 data.
Adenine 1.35 135.14 4.667 73.90 71.4 According to the method described above and with the
Guanine 1.58 151.14 4.875 78.25 75
evaluated OELFs, the systematic calculations of the proton
Thymine 1.48 126.12 4.4 74.09 76.1
Cytosine 1.3 111.11 4.462 73.22 74.6 SPs for the 10 bioorganic compounds in the energy range
Uracil 1.32 112.09 4.833 76.77 79.2 from 0.05 to 10 MeV have been carried out. The calculated
Oleic acid 0.89 282.45 2.926 59.83 61.1 results are listed at selected energies in numerical form in
Linoleic acid 0.9 280.44 3 60.52 62 Table 2. In order to make this table compact and clear,
Arachidonic acid 0.92 304.46 3.111 61.50 63.2
we use the code number, from 1 to 10, to represent the
Cellulose 1.35 162.14 4.095 74.43 77.6
10 compounds, and these are shown in Table 2. From
Table 2
SPs (in unit eV/Å) with higher-order corrections for: 1 – DNA, 2 – Adenine, 3 – Guanine, 4 – Thymine, 5 – Cytosine, 6 – Uracle, 7 – Oleic acid, 8 – Linoleic
acid, 9 – Arachidonic acid, 10 – Cellulose
E (keV) 1 2 3 4 5 6 7 8 9 10
50 5.095 7.115 7.698 7.729 6.922 6.298 7.151 7.071 7.009 7.172
60 7.439 9.443 10.41 10.25 9.147 8.565 8.654 8.592 8.566 9.448
70 8.665 10.59 11.76 11.46 10.23 9.694 9.295 9.246 9.245 10.53
80 9.227 11.06 12.33 11.95 10.66 10.17 9.481 9.441 9.454 10.95
90 9.459 11.19 12.52 12.10 10.78 10.33 9.433 9.401 9.423 11.07
100 9.502 11.13 12.50 12.05 10.73 10.32 9.260 9.232 9.260 11.04
150 8.833 10.03 11.40 10.95 9.697 9.440 8.047 8.036 8.074 10.07
200 7.926 8.869 10.13 9.719 8.586 8.406 7.006 7.001 7.041 8.959
300 6.480 7.136 8.191 7.843 6.919 6.809 5.534 5.534 5.568 7.249
400 5.492 5.967 6.869 6.576 5.794 5.720 4.590 4.591 4.621 6.092
500 4.782 5.144 5.931 5.678 5.000 4.944 3.938 3.939 3.965 5.268
600 4.260 4.551 5.251 5.030 4.425 4.382 3.479 3.482 3.506 4.670
700 3.864 4.109 4.742 4.548 3.997 3.961 3.147 3.150 3.173 4.223
800 3.544 3.758 4.337 4.162 3.655 3.625 2.881 2.885 2.907 3.864
900 3.282 3.481 4.015 3.849 3.381 3.353 2.662 2.666 2.688 3.567
1000 3.061 3.250 3.747 3.587 3.153 3.125 2.478 2.482 2.503 3.317
1500 2.332 2.471 2.850 2.723 2.395 2.375 1.865 1.869 1.887 2.513
2000 1.905 2.013 2.325 2.219 1.951 1.938 1.511 1.515 1.529 2.048
3000 1.415 1.489 1.722 1.642 1.444 1.436 1.111 1.114 1.125 1.516
4000 1.137 1.194 1.381 1.317 1.157 1.152 0.887 0.889 0.899 1.216
5000 0.956 1.002 1.160 1.105 0.971 0.968 0.743 0.745 0.753 1.021
6000 0.829 0.867 1.003 0.956 0.840 0.838 0.641 0.643 0.650 0.883
7000 0.733 0.767 0.887 0.845 0.742 0.740 0.566 0.568 0.574 0.781
8000 0.659 0.687 0.796 0.759 0.666 0.665 0.507 0.509 0.515 0.701
9000 0.599 0.624 0.723 0.689 0.605 0.604 0.461 0.462 0.467 0.637
10,000 0.550 0.573 0.664 0.632 0.555 0.554 0.422 0.424 0.428 0.584
6 Z. Tan et al. / Nucl. Instr. and Meth. in Phys. Res. B 248 (2006) 1–6
Acknowledgements
2 3 4
10 10 10 This work was supported by the Foundation of Ministry
Proton energy (keV) of Education of China under Grant No. 20050422038 and
Fig. 4. Stopping power (SP) results as a function of proton energy for by the Natural Science Foundation of Shandong Province
DNA and the five bases. of China under Grant No. Y2005D02.