@ BioRisk BioRisk 21: 1-10 (2023) DOI: 10.3897/biorisk.21.101171 Research Article Potential risk resulting from the influence of static magnetic field upon living organisms. Numerically simulated effects of the static magnetic field upon model complex lipids Wojciech Ciesielski', Henryk Kotoczek?, Zdzistaw Oszczeda?, Wiktor Oszczeda’, Jacek A. Soroka’, Piotr Tomasik? 1 Institute of Chemistry, Jan Dtugosz University, 42 201 Czestochowa, Poland 2 Nantes Nanotechnological Systems, 59 700 Bolestawiec, Poland 3 Scientific Society of Szczecin, 71-481 Szczecin, Poland Corresponding author: Wojciech Ciesielski (w.ciesielski@interia.p!) OPEN Qaceess Academic editor: Josef Settele Received: 29 January 2023 Accepted: 20 July 2023 Published: 15 September 2023 Citation: Ciesielski W, Kotoczek H, Oszczeda Z, Oszczeda W, Soroka JA, Tomasik P (2023) Potential risk resulting from the influence of Static magnetic field upon living organisms. Numerically simulated effects of the static magnetic field upon model complex lipids. BioRisk 21: 1-10. https://doi.org/10.3897/ biorisk.21.101171 Copyright: © Wojciech Ciesielski et al. This is an open access article distributed under terms of the Creative Commons Attribution License (Attribution 4.0 International - CC BY 4.0). Abstract Background: Recognising effects of static magnetic field (SMF) of varying flux density on flora and fauna is attempted. For this purpose, the influence of static magnetic field is studied for molecules of five complex lipids i.e. such as B-carotene, sphingosine, cer- amide, cholesterol and phosphatidylcholine. Methods: Computations of the effect of real SMF 0.0, 0.1, 1, 10 and 100 AMFU (Ar- bitrary Magnetic Field Unit; here TAMFU > 1000 T) flux density were performed in silico (computer vacuum), involving advanced computational methods. Results: SMF polarises molecules depending on applied flux density. Only B-carotene survives exposure to SMF of 10 and 100 AMFU without radical splitting of some valence bonds. Molecules of remaining lipids suffered radical cleavage of some bonds on expo- sure to SMF of 10 and 100 AMFU. Manipulation with applied flux density provides either inhibition or stimulation of biological functions of the lipids under study. Conclusions: SMF destabilises complex lipids to the extent depending applied flux density. Biological functions of B-carotene are fairly sensitive to SMF, whereas only slight response to the effect of SMF is observed in case of sphingosine, ceramide and cholesterol. Enzymatic hydrolysis of phosphatidylcholine is stimulated by SMF regard- less of the catalysed enzyme employed. Key words: B-carotene, ceramide, cholesterol, phosphatidylcholine, sphingosine Introduction Lipids play a diverse role in animal and plant organisms. They co-constitute biological membranes and triglycerides, located in adipose tissue, play a role in a major form of energy storage of animals and plants (Wang 2004; Dinasarapu et al. 2011; Berg at al. 2019). Wojciech Ciesielski et al.: The influence of static magnetic field upon complex lipids Other functions involve transporting fat-soluble vitamins, oligosaccharides across cell membranes, participation in polysaccharide biosynthesis, activation of certain enzymes and formation of the basis for steroid hormones (Gohil and Green- berg 2009). Such role of lipids prompted us to extend this study. For that purpose, in our studies on the effect of Static Magnetic Field (SFM) upon biologically im- portant components of plant and animal cells, we focused, amongst others, on lipids. In our former paper (Ciesielski et al. 2022), attention was paid to lipid acids and acyl glycerides. This paper is devoted to recognising the effect of SMF upon some model complex lipids, that is, B-carotene (carotenoids), cholesterol (sterols), sphingosine and ceramide (sphingolipids) and phosphatidylcholine (phospholip- ids) which are the most essential components of that group of compounds. B-Carotene, a hydrocarbon with 11 conjugated double C=C bond systems is known as a lipid antioxidant (Anguelova and Warthesen 2008) and the precur- sor of A-vitamin. One molecule of B-carotene can be cleaved by the intestinal enzymes B,B-carotene-9',10'-mono-oxygenase into two molecules of vitamin A (Biesalski et al. 2007), whereas B,B-carotene 15,15-mono-oxygenase does it eccentrically (Eroglu and Harrison 2013). Sphingosine (2-amino-4-octadecene-1,3-diol) forms a primary part of cell membrane sphingolipids. Involving two type kinases, it is phosphorylated into sphingosine-1-phosphtate accounting for signalling lipids (Kataoka et al. 2005; Gergely et al. 2012; Huwiler and Zangemeister-Wittke 2017). Ceramide (Fig. 3) is the sphingosine with a long fatty acids acylated amino group. It occupies cell membranes. Further modification with the phosphati- dylcholine group leads to sphingomyelin constituting a lipid bilayer (Eder et al. 2022). Additionally, it participates in the differentiation, proliferation and pro- grammed cell death mechanism (Siskind et al. 2002, 2006; Stiban et al. 2006). In this work as a simple model for calculation, except for long fatty acid amides, the formamide was accepted. Cholesterol (Fig. 1) a specific unsaturated alcohol includes a cyclopen- taphenanthrene (CPP) moiety. The C=C bond and the secondary hydroxyl group determine its chemical reactivity. Amongst others, cholesterol acts as a lipid antioxidant. The CPP moiety is common for steroids. Hence, apart from several physiological functions, it is a precursor of steroids — important biocatalysts formed enzymatically through steroidogenesis (Haggstr6m and Richfield 2014). Phosphatidylcholine, a phospholipid, is a major component of cell mem- branes and pulmonary surfactant. It is also a membrane-mediated cell signal- ling factor (Kanno et al. 2007). In this work, for simplification of calculations, a shorter 1,2-dibutyryl ester was taken. The biological role of those molecules in living organisms of flora and fauna rationalises including them in our systematic studies on the influence of Static Magnetic Field (SMF) on biologically important elements of living cells. Thus, this report is devoted to advanced numerical simulations of SFM of 0, 0.1, 1, 10 and 100 AMFU (Arbitrary Field Density) arbitrary units performed for those molecules. The results could also be interesting for developing and functioning novel materials (Ramburrun et al. 2022) and systems (Smutek et al. 2023) of biomedical and food applications. Potentially, application of SMF of various field densities could offer either stimulation or inhibition of some processes as well as changing of the pathways. BioRisk 21: 1-10 (2023), DOI: 10.3897/biorisk.21.101171 y) Wojciech Ciesielski et al.: The influence of static magnetic field upon complex lipids aI 71 95%6 64 13 12 91 & a6 78 1) 30 94 \| A Um ee 65 14 \ ™ 39 NE Y 87 IY 62 0 58 57 56 ane ie 1 | | | | | | | | | | hee ay aia i i if ‘ig 7 ait id aie ‘a a es _-6 Zot. 9 0" 84 88 89 61 33 59 S75 te 55 44 WPA Bee EPR a Pay an ee 46 a8 ae 18 17 ING 21 99 B-Carotene nee 7 26 27 O 31 34 35 38 39 42 43 46 47 50 51 54 55 28 26 Tel ste. BN ~~ ZN 14 16 18 oN 20 Pee). 6 el ~~ U ~~ ed ~~ rs UJ ae Ue ~~ 3 og 15 57 N 30 33 32 36 37 4041 4445 4849 £5253 58 Pica 8 ey Sphingosine 29 30 33 34 45 46 49 50 53 54 Cholesterol Phosphatidylcholine (here: 1,2-dibutyryl ester is shown). Figure 1. Numbering atoms in the molecules of complex lipids. Orientation of molecules against x-axis is marked with red lines. BioRisk 21: 1-10 (2023), DOI: 10.3897/biorisk.21.101171 3 Wojciech Ciesielski et al.: The influence of static magnetic field upon complex lipids Materials and methods Numerical computations Computations of the effect of real SMF 0.0, 0.1, 1, 10 and 100 AMFU (Arbitrary Magnetic Field Units; here 1AFU > 1000 T) flux density were performed in silico (computer vacuum), involving advanced computational methods. The proce- dures follow those described in our former paper (Ciesielski et al. 2022). Numbering atoms in particular molecules under consideration are presented in Fig. 1.]. Results and discussion The effect of SMF of flux density from 0 to 100 AMFU upon heat of formation and dipole moment of five complex lipids is demonstrated in Table 1. Tables 2-8 present the effect of SMF in terms of charge density on selected atoms directly participating in biological activity of those lipids and bond lengths between those atoms. When the SMF of flux density generated the radical through extremely expanding some C-H bonds, only data for electron atoms carrying unpaired elec- trons are quoted. The data for the remaining atoms are omitted as they deal with molecules of radical character and, hence, with specific biological activity. Table 1. Heat of formation (HF) [kJ.mole™] and dipole moment (DM) [D] of complex lipid molecules at flux density varying from 0 to 100 AMFU. Molecule B-Carotene Sphingosine Ceramide Cholesterol Phosphatidylcholine HF [kJ.mole”’] at flux density [AMFU] DM [D] at flux density [AMFU] 0.1 1 10 100 | HF,-HF,, 0 0.1 1 10 100 DM,,,-DM, -151 | -142 | -106 | -81 77 0.25 | 031 | 071 | 093 | 1.53 1.28 -1302 | -1211 | -1023 | -817 -547 584 623 | 817 | 10.36 | 13.52 7.68 -1621 | -1584 | -1428 | -985 -674 594 618 968 11.41 13.85 7.91 -501 | -464 | -403 -306 -225 1.62 | 1.78 | 2.06 | 3.57 | 6.51 5.89 1174 | -1086 | -964 | -721 -533 248 294 385 | 513 | 12.15 9.67 Table 2. Charge density [a.u] on the C atoms of the conjugated double bond chain of B-carotene. SMF [AMFU] | c4 0 -.065 0.1 -115 1 -.132 10 -.134 100 -.208 C1 -.282 -.249 -.212 198 -.058 c92 221 wile .209 .207 .200 C82 -.676 pale fs -.763 -.781 -.488 C81 351 321 aoe .204 .158 Charge density [a.u.] at SMF flux density [AMFU] C76 | C75 | C74 | C73 | C72 | C25 | C26 | C27 «C28 | C29 | C30 | C31 | C32 | C34 | C35 | C36 | C42 -.416 | -.202 | -.245) .384 | -.345 | -.031 | -.209 | -.115) .198 | -.171 | -.310 | -.205 | .212 |-.549) .199 | -.262 | -.095 -.388 | -.225 | -.221) .329 | -.337) .002 | -.191 |-.108) .143 | -.154 | -.317 | -.185) .170 | -.568) .191 | -.231 | -.149 -.316 | -.286 | -.158 |) .166 | -.338) .149 | -.096 | -.107 | -.003 | -.114 | -.343 | -.139 | .083 | -.725) .196 | -.193 | -.178 -.298 | -.307 | -.144) .126 | -.416)| .204 | -.002 | -.124 | -.037 | -.102 | -.353 | -.130 | .061 | -.743 | .201 | -.179 | -.178 -.050 | -.509 | .005 | -.371 | -.161 | -115 | -.163 | -.279 | -.388 | -.004 | -.564 | -.158 | .001 | -.396) .204 | -.061 | -.207 Table 3. Flux density dependent lengths [A] of the double bonds potentially involved in oxidative reactions of B-carotene. SMF [AMFU] | c4=C1 0 825 0.1 811 1 888 10 905 100 1.033 C92=C82 825 841 892 911 1.098 Bond length [A] at flux density [AMFU] C81=C76 C75=C74 | C73=C72 | C25=C26 | C27=C28 C29=C30 | C31=C32 | C34=C35 | C36=C42 825 825 825 825 825. 825 825 825 825 .837 .840 841 .784 842 842 838 842 845 .878 .888 .889 715 .899 901 887 .900 899 895 .909 911 .674 915 .923 .984 .920 15 085 1.128 1.027 782 1.023 1.117. 1.076 1.091 1.026 1 BioRisk 21: 1-10 (2023), DOI: 10.3897/biorisk.21.101171 Wojciech Ciesielski et al.: The influence of static magnetic field upon complex lipids Table 4. Flux density depende nt charge density [a.u.] on particular atoms in sphingosine.? SMF Charge density [a.u] on particular atoms at flux density [AMFU] [AMFU] H25 O01 C2 H26 | H27 C3 H28 N8 H10 | H11 C4 H29 07 H9 =C5 | H30 | =C6 H 0 .205 | -.350 | -.006 | .080 | .072 | -.018 | .080 | -349 | .140 | .165 | .069 | .094 | -.335 | .208 | -.209 | .138 | --150 .120 0.1 .195 | -350 | -.018 | .085 | .093 | -.042 | .092 | -339 | .137 | .151 | .053 | .107 | -.340 | .195 | -.288 | .134 | --162 | .126 1 .305 | -.326 | -.001 | .020 | .062 | -.062 | .065 | -.327 | .123 | .147 | .020 | .109 | -.345 | .224 | --181 | .129 | --153 ) .109 10 .204 | -.090 100° .175 | -.514 | .140 | .125 | .119 | .117 .114 | .054 | -409 | .208 aValues in italics relate to radical generated at given flux density. Also the following atoms carry free electrons: C18, H45, C19, H46, H47, C20, H48, H49, C21, H50, H51, C22, H52, H53, C23, H54, H55, C24, H56, H57, H58. Table 5. Flux density dependent bond lengths [A] between particular atoms in sphingosine.* Bond lengths [A] at flux density [AMFU] [AMFU] ® S iN = 8 7 2 : : 3 8 + = 3 S 8 2 £/5|s8|]/s8;/8/8;/8{)|2}2)]8)]s)/ 5) 3) 3] 8) 8] 8 0 0.950 1.430 1.090 | 1.090 | 1.510 | 1.090 | 1.470 | 1.010 | 1.010 | 1.540 | 1.430 | 0.960 | 1.090 | 1.520 | 1.080 | 1.340 | 1.080 0.1 0.952 1.502 1.095 | 1.092 | 1.573 | 1.092 | 1.520 1.084 1.085 | 1.567 | 1.514 | 0.952 | 1.093 | 1.517 | 1.074 | 1.365 | 1.084 1 1.993 | 1.278 | 1.513 | 1.467 | 1.591 | 1.208 | 1.558 | 1.028 | 1.035 1.016 | 1.640 | 1.430 | 1.297 | 1.421 | 1.208 | 1.388 | 1.164 10 2.245 100 2.509 2.727 2.506 2.040 2.180 aValues in italics relate to radical generated at given flux density. Table 6. Effect of SMF flux density on the reaction site charge density of ceramide and selected bond atoms in that molecule.? Charge density [a.u.] on the atoms of reacting hydroxyl group SMF [AMFU] 08 H9 0 -.358 212 0.1 -.348 199 1 -.361 .320 10 -.392 .348 100 -.398 .190 Length of bonds [A] C8-H9 C1-H6 011-H60 C44-H57 C44-H58 0 .950 0.1 .962 1 1.729 10 2.142 100 2.508 2.161 2.037 2.351 2.301 aValues in italics relate to radical generated at given flux density. Discussion A decrease in the negative value of heat of formation (Table 1) provides clear evidence for the destabilising effect of SMF upon the molecules of the lipids under consideration. That effect increased with an increase of the applied flux density. Accompanying increase in dipole moment of those molecules points to elongation of bonds and facility of polarisation of the molecules as the reason of destabilisation. BioRisk 21: 1-10 (2023), DOI: 10.3897/biorisk.21.101171 Wojciech Ciesielski et al.: The influence of static magnetic field upon complex lipids Table 7. Effect of SMF flux density on the reaction sites charge density of cholesterol and selected bond atoms in that molecule.? SMF [AMFU] 01 H27 0 -0.333 0.251 0.1 -0.343 0.251 1 -0.389 0.382 C1-027 C2-C14 0 1.430 1.336 0.1 1.330 1.531 1 1.199 1.385 10 2.162 100 3.032 Charge density [a.u.] on the reacting site atom C2 H28 C14 -0.169 -0.131 -0.193 -0.170 -0.148 -0.194 -0.178 -0.142 -0.132 Bond length [A] C2-H28 01-H27 C4-H33 C8-H39 C10-H46 | C12-H49 | C12-C13 C8-H41 C67-H69 1.000 0.960 1.123 1.143 1.142 1.518 2.496 2.138 2:059 3.413 2.844 2.780 2.347 2.048 2.780 2.981 aValues in italics relate to radical generated at given flux density. Table 8. Effect of SMF flux density on the reaction sites charge density of phosphatidylcholine and selected bond atoms in that molecule.@ SMF [AMFU] 017 0 0.556 0.1 0.583 1 0.636 P16-017 0 1.790 0.1 1777 1 1.795 10 1.932 100 1.890 Charge density [a.u.] on the reacting site atom P16 09 C3 1.731 -0.547 0.261 1.787 -0.578 0.271 1.891 -0.640 0.278 Bond length [A] P16-09 C3-02 P16-018 C15-H51 C13-H47 C6-H45 1.790 1.360 1.767 1.357 1.717 1.360 1.777 1.369 2.064 2.597 1.848 1.408 2.067 3.965 2.084 4.282 aValues in italics relate to radical generated at given flux density. The effect of SMF upon the stability of considered molecules increases in the order: B-carotene < cholesterol < phosphatidylcholine < sphingosine < ceramide, whereas the accompanying increase in the values of the dipole moment arranges in the order: B-carotene < cholesterol