Cl'.iorinavec! ;!a Lori^n-p-:;: o;:ir.s
              Texas  Univ. at  .Vj.-r.tin
               pypcrad for

              Environracntal  P.c?sc:
              Gulf Crecz:e, FL
              Bar  81
         i
                           aCTgza^^
                                    v/vsws^^
            C.
            t.. .
— 81-016

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                                  FOREWORD


     The protection of our estuarine and coastal areas from damage caused by
toxic organic pollutants required that regulations restricting the introduction
of these compounds into the environment be formulated on a sound scientific
basis.  Accurate information describing dose-response relationships for organisms
and ecosystems under varying conditions is required.   Tlie Environmental Research
Laboratory, Gulf Breeze contirbutes to this infoniistion through research programs
aisned at determining:

     .  the effects of toxic organic pollutants on individual species and
        communities of organisms;

     .  the effects of toxic organics on ecosystem processes and components;

     .  the significance of chemical carcinogens in the estuarine and marina
        environment.

     This report sought to determine the initial oxidative pathways for
dibenzodioxin and diuenzofuran compounds by bacteria  in aouatic systems.
Bacterial cultures were isolated and oxidized dibenzo-p-dioxin and nano-
chlorinated dibenzo-p-dioxins; however, di-chlorinated dibenzo-p-dioxins,
were not metabolized by either strain.  The metabolite, 1,2-dihydrodibenzo-p-diosin,
was a potent inhibitor of further oxidation.  These results vri'H sld ir. the
understanding of bacterial metabolic mechanisms of aromatic eompsfunds and
eventually may help to predict their fate in aquatic  onvironmsnts.
                                      Henry FO'tr.os
                                      Director
                                      Envirorsnental Research Laboratory
                                      Gulf Breeze, Florida
                                     iii

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                                   ABSTRACT
     Peeudomanas sp. N.C.I.B. 9816, strain 11, when grown  on  salicylate  in  the
presence of dibenzo-p-tiicxin, accumulated do-} ,2-dinytiroxy-l ,2-diiiycrodiben-
zo-p-dioxin and 2-hydroxydibc-nzo-p-dioxin in the culture  medium.   E?.ch  r.etabo-
lite v.'as isolated in crystalline fonn and identified  by a variety  of conven-
tional chemical techniques.  Crude coll extracts prepared frem  the prrental
strain grown with naphthalene oxidised cie-1 ,2-iiinydroxy-l ^-tl-ihydrcoiLr.-nzo-
p-dioxin under both aerobic and anaerobic conditions  to 1,2-dihydrorycib^riZo-
p-dioxin.  Further degradation of this metabolite was  not det?cteci.

     Whole cells of the parent strain of Beijcriwkia, grcv.-n v:ith  succinate
and biphenyl, oxidized dibenzo-p-dioxin and  several chlorinated dicxins.   The
rete of oxidation of the chlorinated dib-nzo-p-dioxins dscre-sed v;ith r.n  in-
creasing degree of chlorine substitution.  A mutant strain  (E3/"S) of h,-iji,r-
inakia oxidized dibenzo-p-dioxin to c-ic-1,2-dihydroxy-l ,2-dihydrcc^benzo-p-
dioxin.  The mutant organism also oxidized teo  moriocn'ioriiiated  dit"znzo-p-
dioxins to cts-dihydrodiols.  No metabolites were detected  frc.-i t\.'0 dichlorin-
ated dibenzo-p-dioxins.  Growth of the parent strain  of Bcijeri~j-a- present
in the culture rrsdium.  Resting cell suspensions of the parent.  O^^HTST],  pre-
viously grown with succinate and biphenyl, oxidized dibenzo-p-dio;:in to a
compound identified as 1.2-dihydroxydibenzo-p-dioxin.  Further  depraoatirn of
this metabolite was not detected, as the compound was  found  to  be  <; pc^jnt
mixed-type inhibitor of tv:o ring-fission oxygenases present  in  this organism.

     This report wss submitted in fulfillment of Grant No.  R-8CH525 by  The
University of Texas under partial sponsorship of the  U.S. Environmental Pro-
tection Agency.  This report covers the period  from December 1. 1976 to
November 30, 1979 and was completed as of December 7,  1979.
                                       IV

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                                        EPA 600/4-81-016
                                        torch 1981
   BACTERIAL DEGRADATION OF DIBENZO-£-DlOXIN

      AND CHLORINATED DIBENZO-£-DIOXINS


                     by
         G.M. Klecka and D.T.  Gibson
         Department of Microbiology
      The University of Texas  at Austin
            Austin, Texas  78712
             Grant No. R-804525
               Project Officer

               AT W. Bourquin
Gulf Breeze Environmental Research Laboratory
         Gulf Breeze, Florida  32551
    U.S. Environmental Protection Agency
      Office of Research and Development
      Environmental Research Laboratory
         Gulf Breeze, Florida  32561

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                                   DISCLAIMER

     This report has  been  reviev:3d by the Gulf Breeze Environmental Research
Laboratory, U.S. Environmental  Protection Afency, and approved vor publication.
Approval does not signify  that  the contents necessarily reflect the viev.'s  and
policies of the U.S.  Environmental  Protection A
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1. ficKJRT NO.
                                  rcn::r;'CAL RE-KWT ri
                           (F.tsxnodiiuinici>&a ox ilie/rezrt* K!. AUTHOR C>)
 G.M. Klecka and  D.T.  Gibson
                                                                                 COD2
                .'l2AYlGiU KA«£ AWO ADDRESS
                                                          1<3. ,'itOGHAtj! ELUli;i.
                                                          11. C
                                                                       Al-* V k
                                                           Grant Mo.  R-504525
12. SPONSORING AaE
 U.S. Environmental  Protection Agency
 Office  of  Researach and Davelopirsant
 Environmental  Research Laboratory
 Gulf Breeze,  Florida  32551  _
                                                          13. TYPE 0? REPORT t-SlQ PCBtOO COVERED
                                                           Final  -  Dsc.  19/5. - iiov. 197?
                                                          14. s.«>owsoRir*e Aoewcv CODE
                                                              CPA-600/4
IS. SUFPLtiMENTAKY HOT63
IS. ABSTRACT
       Pseua'Q!?ion5s  sp.  N.C.I.B.  9816, strain 11, when grown on  salicylate in the pres-
 ence  ot  cnbenzo-n-dioxin, accumulated cj^-l^-dihydroxy-l^-dihydrodibenzo-^dioxin
 and 2-hydroxydibenzo-D-dioxin  In the culture insdiisn.  f,rude cell  ext. acts prepared
 from  the parental  strain grown with naphthalene oxidized ci s-1 ,^-dl hydroxy-1 , 2-
 dihydrodibcnzo-p_-dioxin to l,2-dihydroxydibenzo-2-dicxon.  Further degradation of
 the metabolite was not detected.  Whole cell-- of the parent strain of Bgi.-jgrinckia,
 grown v-iith  succinate and biphenyl, oxidized dibenzo-p-dioxin and  several
 dioxins.  A mutant strain (B8/36) of Eai.isrinicka oxfdized dibenzo-^-dioxin to cis-
l,2-dihydroxy-l,2-dihydrodibfinzo-p-dioxm.  'me mutant organism  also  oxidized two
 nonochlorinated dibenzo-p-dioxins to cj[s_-diiwdrodio!$.  No mstabolites  v=:ere detected
 frcsi tv,'o  dichlorinated dibenzo-p^-dicxins.  Growth of the parent strain  of Bei jerirr.cki
 on succinate was inhibited after four hours when 0.05% dibenzo-£-dioxin was present
 in the  culture  msdiimi.  Resting cell suspensions of the parent  organism oxidized
 dibenzo-g-dioxin to a compound identified as 1,2-dihydroxyciibenzo-p-dioxin.  Further
 degradation of  this metabolite was not detected, as the compound  was found to be a
 potent  mixed-type inhibitor of two ring-fission oxygenases present in this organism.
VI.

i.
                               KEY WORD3 AMD DOC'JWEHT ANALYSIS
                                                            EMDiO TERMS  JC.  COSATI F
 Chlorinated  dibenzo-p-dioxins
 Hicrobial  degradation
 ci s-di hydrodi ols
 inhibition of bacterial  growth
10. DiaTH'JiUTIOH I.V/


 Release  to public
                                              13. SECURITY CLAiS (Vni* ntporlj
                                                                         'l. HO. Of-
                                              i-D. EECUFitTY CLA-i

                                              . Unclassified
                                                                        ZX. CRIC6
^jr
 PA Fom 2220-f (»«». 4-77)   PREVIOUJ CUITIO
                                     i^oyri c<:
                                     NATIOhiM. T'-CHMCAl
                                    INFORMATION SERVICE
                                        uj titMuitaiii of cofieiFci

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                                CONTENTS
Forev;ord	ill
Abstract	   iv
Figures	   vi
Tables ..... 	 viil

     1.  Introduction  	    1
     2.  Conclusions 	    3
     3.  Recommendations 	    4
     4.  Materials end Methods 	    5
     5.  Results and Discussion	   12

References	   52

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                                   FIGURES
Number
   1     Thin-layer chromatogram of the  products  formed  from the
           oxidation of dibenzo-p_-dioxin by  Pseudomonas  sp.  N.C.I.B.
           9816 strain 11	16
   2     Formation of compound A by Pseudomonas  sp.  N.C.I.B, 9816
           strain 11	17
   3     Infrared spectrum of compound B (Nujol)   	   18
   4     Ultraviolet spectrum of compound B  (MeOH)   	   19
   5     Proton magnetic resonance spectrum  of compound  B (Acetone-
           d5)  	20
   6     Infrared spectrum of compound A (Nujol)   	   22
   7     Ultraviolet spectrum of compound A  (MeOH)   	   23
   8     Proton magnetic resonance spectrum  of compound  A (Pyridine-
           d5)	24
   9     Infrared spectrum of compound C (Nujol)   	   27
  10     Ultraviolet spectrum of compound C  (KeOH)   	   28
  11     Proton magnetic resonance spectrum  of compound  C (CDClg) ...   29
  12     Infrared spectrum of compound D (Nujol)   	   32
  13     Ultraviolet spectrum of compound D  (MeOH)   	   33
  14     Proton magnetic resonance spectrum  of compound  D (Acetone-
           d6)	34
  15     Polarographic assay of 1,2-dihydroxynaphthalene oxygenase
           in cell-free extracts of Pseudomonas  sp.  N.C.I.B. 9816 . . .   36
  16     Growth and acci-mulation of compound IA  by cultures of
           Beijerinckia B8/36 	   39
                                      vi

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IJumber                                                                   Page

  17     Growth and accumulation of ccirioounds  IIA end  IIIA by
           cultures of Beijerinckia E8/35  	  41

  18     Acid-catalyzed dehydration of compounds IIA and  IIIA  	  43

  19     Effect of dibenzo-£-dioxin on the growth of Bgijerinckia
           sp., wild type	45

  20     Polarographic assay of ring-fission oxygsnases in cell
           extracts of Deijerinckia sp	  45

  21     Separation of the 2,3-dihydro;rybip!-,onvl ^ Cctechol
           oxygenar.cs by ion-exchange (CEAE) cnrcmatography	48

  22     Effect of 1,2-dihydroxydibenzo-D-dioxin on the ring-
           fission oxygenases from Beijerinckia sp	  51
                                      v.i

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                                   TABLES

Number

  1      Sugary of the preliminary screening  of organisms  for the
           ability to co-oxidize dibenzo-£-dioxin 	   13

  2      Oxidation of substrate's by washed,  whole cells  of  Pseudo-
           monas sp. N.C.I.B.  9816	." .  .  .   14

  3      Analysis of the proton magnetic resonance spectrum of
           compound B	21

  4      Analysis of the proton magnetic resonance spectrum of
           compound A	25

  5      Analysis of the proton magnetic resonance spectrum of
           compound C	30

  6      Analysis of the proton magnetic resonance spectrum of
           compound D	35

  7      Oxidation of substrates by washed,  whole cells  of
           Beijerinckia sp	37

  8      Physical properties of the metabolites  formed from mono-
           chlorinated dibenzo-g_-dioxins by  Beiierinckia B8/36	42

  9      Polarographic analysis of the activities of the partially
           purified 2,3-dihydroxybiphenyl a;id  catechol oxygenases ...   50
                                     vi i i

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                                   SECTION 1
                                 INTRODUCTION
     Heterocyclic aromatic compounds containing 2 atcrns of oxygen, such as
dibenzo-p_-dioxin have been identified in tha neutral fractions of bituminous
coal (16).  Interest in chlorinated dibenzo-p_-dioxins arose with the identi-
fication by x-ray diffraction of 1,2,3,7,3,9-hexachlorodibenzo-p_-dioxin as
the "chick edama fector" which caused the deaths cf millions  of broiler
chickens in 1957 (4).  It is now known that conditions utilized in the syn-
thesis of certain chlorinated fungicides and herbicides, such as pentachloro-
phenol, 2,4,5-trichlorophenol and  2,4,5-trichlorophenoxyacetic acid can re-
sult in the formation of chlorinated dibenzo-£-dioxins.  The most potent iso-
mer, 2,3,7,8-tetrachlorodibenzo-p_-dioxin has been considered to be one of the
most toxic low molecular weight compounds known to man, with a me?.n lethal
dose in guinea pigs of 1.0 ug/kg of body weight (27).  The high toxicity of
some of these contaminants, when considered in light of the extensive world-
wide use of chlorophenols 'In both  industry and agricul lure, is of environ-
mental concern.
     The potential for the degradation of chlorinated dibenzo-p_-dicxins in
the environment has been investigated.  Reductive dechlorination has been re-
ported by several authors (7,8).   The reaction required ultraviolet light and
the presence of a suitable organic hydrogen donor.  Kearney et_ al_.  O8) have
monitored the metabolism and persistence of ^C-labelled 2,7-dichlorodibenzo-
p_-dioxin and 2,3,7,8-tetrachlorodibenzo-p_-dioxin in experimental soil  samples.

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2,7-Dichlo>*odibfw.o-p_-dioxin was oxidized to -COg and to cne or mere polar
metabolites detected in ethanol extracts of the soil samples.  Attempts to
identify the metabolites were unsuccessful.  2,3,7,8-Tetrachlorodibenzc-£-
dioxin was oxidized to a lesser extent, as over 50% of the original samples
were recovered after one year.  No metabolites were <1etec .l.ed in soils treated
with 2,3,7,8-tetrachlorodibenzo-£-dioxin.  Matsumura & Benezet (21) screened
over 100 inicrcbial strains previously shown to be capable of degrading per-
sistent pesticides for the ability to degrade ^C-labelled 2,3,/,8-tetra-
ci-ilorodibenzo-£-dioxin.  Only 5 strains were found to be capable of degrauing
this compound to unidentified polar metabolites.
     This report describes the oxidation of dibenzo-p^dioxin and severs!
chlorinated dibenz^-p_-dioxins by a Pseudcmonas species and a 8ei jen'nckie spr-
cies.  Evidence is presented for the identity of metabolites prior to the en-
zymic fission of the aromatic nucleus.  Further eviuencn is prerented that
describes the inhibition by 1,2-dihydroxydibenzo-p_-dioxin of enzymes respon-
sible for the oxidative fission of arotr.^tic molecules.

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                                  SECTION 2
                                 ccficLusions
     The results cf laboratory studies on the biedegr^.'ation of dibc.'n;'0-^-
dioxin and its chlorinated derivatives suggest that rcicrcoroanisms capable of
oxidizing these compounds are relatively rare in the environment.  The unsub-
stituted parent compound, dibenzo-p_-dioxin, was shown to inhibit the growth of
a laboratory strain of Bei.ierinckia and this physiological  effect rray be due
to the rretabolism of dibenzo-£-dioxin to 1,2-dihydroxydibenzo-p_-u'ioxiri.  The
latter compounJ was shown to be a potent inhibitor of ring-fission dioyyr,enases
in this organism.
     Dibenzo-p_-dioxin and two monochlorinated derivatives were oxidized to cis-
dihydrodiols by a Beijerinckia species.  Pseudomonas sp. U.C.I.B. 981G also
oxidized dibenzo-p_-dioy,'in to a ci^-dihydrodiol.  These observations indicate
that microorganisms capable of oxidizing this class of compounds use a dioxy-
genase enzyme system to incorporate rrolecular oxygen into the aromatic nucleus.
This type of metabolism is similar to that observed in the biodeqradation of
aromatic hydrocarbons and related compounds.  Increasing chlorine substitution
on the aromatic rings of dibenzo~£-dioxin decreases the rate of biological
oxidation.

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                                   SECTION 3
                                RECCOEDNATIONS
     It is recommended that further studies on the microbial  oxidation of
dibenzo-£-dioxin and its chlorinated derivatives be conducted.   Preliminary
observations suggest that dibenzo-^-dioxin itself inhibits  the  growth of bac-
teria and the mechanism of this inhibition should be elucidated.   A broader
range of microorganisms including bacteria, fungi, yeasts and alga, should be
examined for their ability to oxidize this class of compounds in  order to de-
termine the potential  fate and effects of dioxins in the environment.

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                                   SECTION 4



                             MATERIALS AT1D I'ETKODS





Organisms, and Grovfth Conditions



     Four strains of bacteria vvere examined for the ability to cxidi/e diben-



zo-£-dioxin and chlorinated dibenzo-p_-dioxins.  Pscbdrrtrir? sp. N.C.I.B. was



kindly provided by Professor W.C. Evans, University of North '..'ales. Great



Britain.  The organism was isolated from farm soil by elective culture, and



has the ability to grow on naphthalene as the sole source of carbon (9).  A



spontaneous mutant, Pseudomonas sp. N.C.I.B. 9816 strain 11, was isolated from



the parent organism, that co-oxidized naphthalene to cis-1,2-dlhydroxy-l ,2-



dihydronaphthalene when grown on succinate or salicylate as the carbon source



(D.T. Gibson, unpublished results).



     The isolation and characterization of Bei jc-rinckia sp. has been reported



(13).  The organism was isolated from a polluted stream by virtue of its abil-



ity to groH with biphenyl as a sole source of carbon.  Treatment of the parent



organism with fi-methyl-N'-nitro-N-nitrosoguanidine led to the isolation of a



mutant strain, Beijerinckia 88/35, that oxidizes several different aromatic



hydrocarbons to ci_s-dihydrodiols (12,13,17,19).



     Organisms were maintained on agar slants of a mineral salts medium (29)



containing 0.2% succinate, and were stored at 4 C.  Cells were transferred



from a slant to 100 nil of mineral salts broth (pH 7.2) containing  0.21  suc-



cinate in a 500 ml Erlermeyer flask.  Cultures were  incubated at 27 C on  a



rotary shaker at 150 rpm for 12 hours.  A 5%  (v/v) inoculum of the aoove

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culture was used for further experiments.
     Biotransformation experiments \vere conducted in 2 liter Erlenmoyer flasks
containing 500 ml of mineral salts medium  as  above,  with the exception that
the phosphate buffering capacity was double strength ;pH 7.2).   Carbon sources
were added to the culture medium according to the experimental  design.  Naph-
thalene, biphenyl, snd dibenzo-2-dioxins were added  to cultures in 10.0 ml  of
acetone to give 3 final concentration of 0.05% in the culture medium.   Acetone
was not a growth substrate nor did it inhibit the growth of the organisms.
Flasks were incubated as described above.   Growth of the cultures was  moni-
tored turbidometrically at 600 nm.  When samples of  the cultures were  filtered
through glass wool, the aromatic hydrocarbons did not interfere with the mea-
surement of cell density.
     Large-scale biotransforaation experiments with  Pseudomonas sp. N.C.I.B.
9816 were conducted in a 50 liter carboy containing  10 liters of medium with
0.1* salicylate and 0.05% dibenzo-p_-dioxin.  Cultures were incubated on a re-
ciprocating shaker at 27 C.
     Cells of Pseudumonas sp. K.C.I.B. 9816 and Beijerinckia sp. used  for the
preparation of cell extracts were obtained from large-scale incubations (10
liter) grown with forced aeration in a New Brunswick model H14  Microferm fer-
mentor at 30 C for 12 hours.  Air was supplied at a  rate of 10  liters/mln and
the culture was stirred at 500 rpm.  Pseudomonas sp. N.C.I.B. 9816 was grown
with 0.1» naphthalene.  Beijerinckia sp. was grown with 0.2% succinate and
0.052 biphenyl as an inducing substrate.  In addition, an anion exchange resin
(BioRad AG 1-X3: 5 g/1) was added to the latter cultures to remove acid prod-
ucts (19).  Cultures were initially filtered through glass wool to remove
solid materials, and the cells harvested with an air-driven Sharpies continu-

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ous-flow centrifuge.  The cells were washed twice with 0.05 M KH2PO/( buffer,
pH 7.2, and used in further studies.  Unused cells were stored at -15 C until
required.
Detection of Metabolites
     Quantitative measurement of product accumulation in the culture medium
v;as conducted at various time intervals.  A 5.0 nil aliquot of the culture was
extracted with 15.0 ml of ethyl acetate.  The organic extract was dried over
anhydrous Na2S04 and the solvent removed in vecuo at 30 C.  The residue w^s
applied with 0.5 ml of acetone to a glass preparative thin-layer chrcmatogra-
phy plate, precoated with Silica-Gal 60.  The solvent system used for chrcrna-
tography was chloroform/acetone (80:20).  Compounds were located with the use
of ultraviolet light.  Regions of the plate containing suspected metabolites
were removed and extracted with 5.0 ml of methanol.  A sample (0.1 ml) of the
methanol extract was diluted to 1.0 ml with the sarre solvent and the ultra-
violet spectrum recorded.  The reference cuvette contained methanol.
     Alternatively, samples of duplicate culture extracts were examined on
analytical thin-layer chrornatography sheets.  Following development of the
chromatograms as above, compounds were located with the use of ultraviolet
light and also by spraying with a 2% solution of 2,6-dichloroquinone-4-
chloroimide in methanol (10; Gibbs reagent).  Subsequent exposure of the chro-
matogram to ammonia vapors often enhanced the color intensities of the differ-
ent products.
Isolation of Transformation Products
     When product accumulation in a culture had reached a maximum,  the culture
was filtered through glass wool to remove unused solid materials.   The fil-
trate was extracted with two volumes of ethyl acetate and the organic  layer

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dried over anhydrous ^SC^.  The solvent was removed IP vacuo at 30 C.  Prod-
ucts were purified by column chr&Tiatography followed by recrystallization.
Whole Cell Studies
     Determination of the rate of whole cell oxidation of various substrates
was conducted polarographically with a Clark-type oxygen electrode at 30 C,
using 0.05 M KK2P04 buffer, pH 7.0, which was saturated with air prior to use.
The reaction mixture, in a total volume of 1.4 ml contained buffer and an ali-
quot of a cell suspension.  The reaction was initiated with the addition of
200 nmoles of the substrate in 10 pi of N.N-dimethylformamide.  All rates were
corrected for endogenous respiration of the cell  suspension.  Whole cells were
unable to oxidize N,N-dimethylformamide nor did this solvent inhibit enzymatic
activity.
Preparation of Cell Extracts
     Frozen cells were thawed and suspended in 0.05 M KH2pC)4 buffer, pH 7.2,
containing 10% acetone (3 g of cells per 10 ml of buffer).  The suspension was
subjected to sonic oscillation at 40 kHz with a Bronwill Biosonik III ultra-
sonic disintegrator for 1.5 min (three 30-sec exposures).  Cell debris was re-
moved after centrifugation at 30000 x g for 1 hour at 5 C.  The clear super-
natant solution was used as a source of crude cell extract.
Enzyme Analyses
     The activity of various enzymes was determined with cell-free extracts.
In all cases, the amount of cell extract used in the analysis was a level
found to give a linear rate of product formation with respect to protein con-
centration.
     1,2-Dihydrox.ynap.hthalene Oxyqenase—The activity of the 1,2-dinydroxy-
naphthalene oxygenase was determined polarographically at 30 C using

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0.05 M KH2P04 buffer, pH 7.0.  The reaction vessel, in a total volume of 1.4 ml



contained buffer and a suitable amount cf cell extract.  Reactions were initi-



ated with the addition of 100 nmoles of 1,2-dihydroxynaphthalene.



     2,3-Dihydroxybinhenvl Oxyqgnase--Activity of the 2,3-dihydroxybiph2nyl



oxygenase was determined polarographically at 30 C using 0.05 M KI^PC^ buffer,



pH 7.5.  The reaction mixture, in e total volume of 1.4 ml contained buffer



and a suitable amount of cell extract.  Reactions v/ere initiated v:ith the ad-



dition of 100 nmoles of 2,3-dihydroxybiphenyl in lOul of f!,li-aitr.3thylformsmide.



All rates were corrected for endogenous respiration.  No auto-oxidatio;i of



2,3-dihydroxybiphenyl was observed under the assay conditions.



     Spectrophotomatric assay conditions v/ere established for the 2,3-dihy-



droxybiphenyl oxygenase.  The product of the reaction has been identified as



2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate (5) and was found to exhibit an ab-



sorption maximum at 435 nm (e = 15800; pH 7.5) (D.T. Gibson, unpublished re-



sults).  The reaction mixture, in a total volume of 1.0 ml contained buffer



and cell extract.  Reactions were initiated with the addition of 100 n-noles



of 2,3-dihydroxybiphenyl.



     Catechol-2,3-dioxy.ienase--The activity of the catechol-2,3-dioxygenase



(E.G. 1.13.1.2) was determined polarographically at 30 C using 0.05 M KH2PC»4



buffer, pH 7.5.  The reaction mixture, in a total volume of 1.4 ml contained



buffer and a suitable amount of cell extract.  Reactions were initiated with



the addition of 1.0 wnole of catechol.  All rates were corrected for endogen-



ous respiration.



     Catechol-2,3-dioxygenase activity was monitored spectrophotometrically



by the procedure described by Nozaki et el.  (22) by measuring the formation



of a-hydroxymuconic setnialdehyde at 375 nm.  The reaction mixture,  in a  total

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volume of KO ml, contained buffer and cell extract.  Reactions were  initiated
with the addition of 1.0 yrcole of catechol.
Protein Determinations
     Whole cell protein determinations were conducted after digestion  of an
aliquot of the cell suspension in 0.1 N NaOH at 100 C for 1 hour.  Protein
.concentration was determined by the method of Lowry et al. (20) with crystal-
line bovine serum albumin as the star.uard.
Analytical Methods
     Ultraviolet and visible spectra we're determined on a Beckman model 25
recording spectrophotometer.  Infrared spectra were recorded on a Perkin-Elmar
model "137 spectrophotometer and were referenced to the absorptions of  polysty-
rene.  Crystalline  samples were mulled in Nujol and placed between NaCl discs.
Optical activity was determined with a Perkin-Elmer model 141 polarimeter.
Low-resolution mass spectra were determined on a DuPont-Consolidated Electro-
dynamics Corp. model 21-491 spectrometer.  High-resolution mass spectra were
determined on a DuPont-Consolidated Electrodynamics Corp. model 21-1COOC spec-
trometer and were referenced to assigned perfluoroalkane peak fragments.  Pro-
ton magnetic re--   — spectra were recorded on a Varian model HA-100  spectro-
meter.  Absorptions  »ere assigned 6 values at the mid-poir.t of half-height and
are referenced to tetramethylsilane (Me^Si).  Melting points were obtained
with the use of a Biichi melting point apparatus and are uncorrected.
Chemicals and Materials
     Dibenzo-p_-dioxin was synthesized according to the procedure described by
Gilman and Dietrich (14).  1-Chloro- and 2-chlorodibenzo-p_-dioxin were pre-
pared by the method of Pohland and Yang (24).  2,3-Dichloro- and 2,7-dichloro-
dibenzo-£-dioxin were obtained from RFR Corp.  2,8-Dichloro- and 1,2,4-tri-
                                       10

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chlorodibenzo-p_-dioxin were obtained  from  the  Food and Drug Administration.
2-Hydroxydibsnzo-£-dioxin was synthesized  by a rr-thcd analogous to that des-
cribed by Hartoucjh and Keisel (15)  for  the synthesis of 2-hydroxydibenzothio-
phsne.  Pyrocatechol was obtained  from  Eastman Kodak, Inc.  1,2-DihycJroxynaph-
thalene VMS synthesized by the method of Corner  and Your,;-;  (6).  2,3-Oihycroxy-
biphenyl was prepared ?>s previously described  (13).  Oxidized nicotind.iiiJe
adenine dinuclcotide (;IAu^) was obtained from  Sir^s Clinical  Co.  Si lice-Gel
60 was from Brinkman Instruments,  Inc.  Basic  Almina, Brocl-.n^n Activity  I was
from  Fisher Scientific Co.  BioRad  AG-1X8  was  obtained from EioRad Laborator-
ies,  Pi ethyl amincethyl (DEAE)-cellulose w?s obtained from Whatman. Inc.  Ana-
lytical t.l.c. was performed using  Brinkman Chromatogram sheets, type  Sil G/UV
(Silica-Gel with  fluorescent indicator).   Preparative t.l.c.  was conducted
with  glass plates (5.0 x 20.0 cm)  precoated with Silica-Gel 60  (Brink-en  In-
struments, Inc.). Organic solvents were purified by vacuum distillation.  All
other materials were of the highest purity commercially available and  were
used  without further purification.
                                        11

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                                   SECTION 5
                            RESULTS AND DISCUSSIONS

Preliminary, Studies
     The initial approach was to attempt to isolate new microorganisms with
the ability to degrade dibenzo-p_-dioxin.  The biodegradation of this compound
would be studied in detail with respect to metabolites formed as well as the
effect of the oxidation on the organism.  However, numerous attempts to iso-
late microorganisms from freshwater and a wastewater treatment facility, capa-
ble of utilizing dibenzo-£-dioxin as a sole carbon source proved unsuccessful.
     In a subsequent experiment, several different strains of bacteria, pre-
viously shown to be capable of oxidizing aromatic hydrocarbons, were screened
for the ability to co-oxidize dibenzo-£-dioxin.  Organisms were grown in 100
ml cultures of mineral salts broth with 0.2% succinate as the carbon source.
Dibenzo-£-dioxin (0.05%) was added to the cultures as a solid.  Growth of the
experimental cultures was compared to the growth of control cultures grown on
succinate (0.2%) in the absence of dibenzo-p_-dioxin.  The formation  of products
in the culture medium was analyzed qualitatively by thin-layer chromatography
as described in Materials and Methods.  Results are summarized in Table 1.
Dibenzo-£-dioxin was unable to support the growth of any of the organisms when
supplied as the sole carbon source.  However, co-oxidation was observed under
certain condtions.  Among the strains tested, a Pseudomonas sp. and  a Beijer-
inckia sp. were selected for further studies.
                                       12

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          TABLE 1.  SUGARY OF THE PRELIMINARY SCREENING OF ORGANISMS
                    FOR THE ABILITY TO CO-OXIDIZE DIDEf.'ZO-^-DIOXIN
Organism
                                     Growth
   t'etdbolite Forr-;tion
  J       Color F.eectic
Beijerinckia sp.
Beijerinckia sp. strain B8/35

+
4-HH- 0.22
0.5
None detected
Brov:n
Purple
  Pseudo-^mas sp. N.C.I.B. 9816
  Pseudomonas sp. N.C.I.B. 9816
     strain 11
  £.- P'Jtid,-' NP
  P_. putida NP strain 119
  P.. putida TOL
  P. putida TOL strain  39/D
  Flavobacterium sp.
  Mycobacterium sp.
  Acinetobacterium sp.
                          -H--H-
                          •H-++
       ilone detco'c^d

0.5 (trace) Fainl purple
       None detected
       None detected
       None detected
       None detected
0.5 (trace) Faint purple
       None detected
       None detected
  ^
   Chfomatograms developed in CHCl3:acetcne (SO/20)
   Color reaction with Gibbs reagent and subsequent exposure to ammonia vapors
Oxidation of Various Aromatic Hydrocarbons by Esajjaaitl^s. sp. N.C.I.S. 9816
     Duplicate cultures (500 ml) of Pseudomonas sp. N.C.I.B. 9816 were grown
to mid-log phase on the various carbon sources listed  in  Table 2.  Oxygen con-
sumption bv washed, whole cells of Pseudomonas sp. N.C.I.B. 9816 was  then ex-
amined in the presence of various aromatic substrates  (Table 2).  Cultures
grown with succinate or on succinate with an inducing  substrate exhibited
little activity with the various substrates.  Alternatively, cultures grown
                                       13

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  TABLE 2.  OXIDATION OF SUBSTRATES BY WASHED, WHOLE CELLS OF PSEUDOMONAS  SP.  N.C.I.B. 9816
Oxygen uptake on
Growth Substrate(s)
0.2% Succinate
0.2% Succinate +
0.5% Salicylate
0.2% Succinate +
0.05% Naphthalene
0.2% Succinate +
0.05% Dibenzo-£-dioxin
0.1% Salicylate
0.1% Naphthalene
Naphthalene
27.6
23.2
19.2
9.1
294.0
263.3
various
Benzene
5.6
4.9
5.8
0.0
21.1
24.6
substrates (nsr.oles of 02 consumed/min ing )
Anthracene
6.8
6.3
5.2
0.0
36.8
46.7
Dibsnzo-p-diox1n
6.4
8.3
8.9
0.0
21.1
24.6
Catechol
0.0
4.3
4.8
0.0
215.4
183.8
Enzyrcatic activity was monitored polarographically as described in Materials and Methods.
Aromatic substrates were added in N.N-dimethylformamide (200 nmoles/10 pi).

-------
with salicylate or naphthalene as the sole carbon source readily oxidized the
various aromatic substrates.  No attempt was made to isolate and identify the
metabolites.
Oxjdaticn of dibenzQ-.n-dioxin by Pseudo^ionas sn. N.C.I.B. 9816 strr.in 11
     Preliminary studies of the oxidation of dibenzo-g_-dioxin by Pseudr.'onas
sp. N.C.I.B. 9816 strain 11 indicated that co-oxiduticn \:as negligible v;hen
the organism was grown with succinite (0.21") as the carbon source.   However,
when Pseudomonas sp. N.C.I.B. 9816 strain 11 was grown in 500 ml cultures of
mineral salts broth containing 0.1% salicylate and 0.05% dibenzo-2.-dic.xin, two
neutral products (compounds A and B) were excreted into the culture rcsdium (Fig. 1)
Compound A  (Rf 0.22) absorbed ultraviolet light and gave a brown color with
Gibbs reagent.  Compound B (Rf 0.5) also absorbed ultraviolet light and gave
a purple color with Gibbs reagent.  The formation of compound A in the culture
medium was monitored spectrophotometrically (Figure 2).  Maximum accumulation
of compound A was observed after 36 hours.
     It is of interest that Pseudomonas sp. N.C.I.B. 9816 strain 11 failed to co-
oxidize dibenzo~2-dioxin when grown on succinate but readily oxidized the com-
pound when grown on salicylate.  This observation is consistent with the re-
port by ShamsuzzamanandBarnsley (28) suggesting that in this organism,  sali-
cylate is the coordinate inducer of a block of enzymes catalyzing  reactions
in the conversion of naphthalene to salicylate.  The results also  indicate
that dibenzo-p_-dioxin fails io induce the enzymes responsible for  the oxida-
tion of the aromatic nucleus.
Isolation of Compounds A and B
     Pseudomonas sp. N.C.I.B. 9816 strain 11 was grown in  10 liters  of  mineral
salts broth containing 0.1% salicylate and 0.05% dibenzo-p_-dioxin.  After  36
                                       15

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         front
           4
80:20
                  O      O-
o
                                                         B
-g»
                                                       .1  p-
                                                       3  A
Figure 1.   Thin-layer chromatogram of the products  formed from
           the  oxidation of dibenzo-p_-dioxin by Pseudomonas sp.
           N.C.I.B. 9816 strain 11.  Experimental details are
           discussed in the text.
                          16

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                                9CO
                                i.^\j

                                Wove I e not h (nm)

 Figure 2.  Formation of compound A by Pse:idomonas sp.  N.C.I.B.  9816  strain  11
            (legend next page).

hours, the culture was filtered to remote unused dibsnzo-o-dioxin  and then ex-

tracted with an equa' volume of ethyl acetate.   The organic liyer  was dried

over ani.ydrous Na2SO^ and the solvent removed  in vacuo  at 35 C to  yield 367  mg

of a solid residue.

     The residue was dissolved in a small volume of chloroform and applied  to

the top of a silica-(jel column (1.9 x 22.0 cm;  25% ^0  w/v).  Thp  column was

eluted with 700 mis of chloroform and then 700  mis of chloroform/rrethanol

(98:2).  The presence of compounds A and B in  the colurr.n fractions (15 mis)

was detected by thin-layer chroruatography.  Fractions 9-15 were found to con-

tain compound B.  Compound A was eluted in fractions 63-75.  Frscf-ons con-
                                       17

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Figure 2 Legend.
A 500 ml culture was grov/n as described in the text.  At the times indicated
(hr rs) the accumulation of compound A was measured quantitatively as described
in Materials and Methods.

-------
taining each metabolite were  pooled *nd the solvent removed in. vf»cno at 20 C.
Compound A  (242 rcg)  end compound B (276 rcg) were further purified by two re-
crystallizations  from  hexene/acetonc.
Identification of Compound  B
     The white crystals obtained after rccryr-tallizution h-d the following
physical properties:   raiting point, 1<:*-K5 C; nass spectrum, calculated for
12ci2llH31G°3' 200-0473' found m-ss. 200.0*68.  The infrared snctnr- (K-jjo",;
exhibited raxirca  at  2.62, 2.92, 5.15, 6.32, 7.53, 10.83, 12.5, ar.d 13.4i.m
(Figure 3).  The  ultraviolet  spectrum (KeOH) showed maxima at 221 n~ (c =
32000) and  292 nm (e = 4300)  (Figure 4).  The proton magnetic resonance spec-
trum of compound  B in  deuterated acetone is sho-.=n in Figure 5.  An analysis of
the  spectrum is given  in Table 3.
  4000 03CO      2GOO      1SSO
 o.oi"~T'"";'''  ' '  	"•'  '•
  .10
 ,.n:-s

 OA-1     KX50   TO?     r.30       7C3
• . J__ _i*.__ . *  *	J ,i_t * ti^fA* j* 4 j f a j*A*>.* ji^AAii. + -- * * i  • • '  -
f?30
p
^.50
       -H-
                                     -^0
                                     -j.20
                                     -.20
                                        .40
                                        .50

                                        1.0
  1.0

                 i3     12
              Figure  3.   Infrared  soectruni  of  compound  B  (fiujol)
                                                                          15
                                        18

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£20     £40     ££O     2&Q
          'WAVELENGTH
                                                 SOO
520
            Figure  4.   Ultraviolet spectrum of compound B (HaOH)

     The results  of the physical data suggest that compound B is 2-hydroxydi-
benzo-p_-dioxifi.   Verification of this structure was obtained with the chemi-
cal synthesis of  2-hydroxydibenzo-p_-dioxin from 2-bromodibenzo-p_-dicxin via
an alkali fusion  reaction.   Compound B exhibited infrared, ultraviolet and
mass spectra identical  to  those of the synthetic compound.  No depression of
nelting point was observed when compound B was mixed with the authentic sample
of 2-hydroxydibenzo-p_-dioxin.
                                      19

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                                                                        II
Figure 5.  Proton magnetic resonance spectrum of compound B
                                     20

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TABLE 3.  ANALYSIS OF THE PROTON MAGNETIC RESONANCE SPECTRUM CF COMPOUND B
                       (3)H
                                                 OH (4)
                              K(3)
it (2)
Prnton'
;
2
3
4
Chenfc&t Shift (&}
6.77
6.46
6.B2-7.02
8. 20-8.44
Description
IK [9, croaatic;
2H {a, aroaetlc]

-------
Identification of Compound A
     The white crystals obtained  after  recrystallization  had  the  following
physical properties:  malting  point,  139-140  C;  [a]*5 + 110°  (c - 0.405, MeOH);
mass spectrum, calculated for  12C12lH1016°4>  218.0579, found  mass,  218.0537.
The infrared spectrum (Nujol)  showed  peaks at 3.05,  5.92, 5.3, 6.9,  7.95,
10.82, 12.0, 12.4, and 14.13 u:n  (Figure 6).   The  ultraviolet  spectrum  in
methanol (Figure 7) exhibited  maxima  et 227 rim (c    12500}  cr.ci 298  r.m  (c =
2800).  The proton magnetic resonance spectrum of compound  A  in deutcratcd
pyridine is shown in Figure 8.  An analysis of the spsctrim is riven in Table
4.
     4000 3COO      2CCO      i:00       C.V      IOCS   reo     CCS       7C3
           fc-^^fc* 1.4 1.1. ' <^ I,) I I Ut.- ii'.n. J-J iiii. i '• '  I  t. i I.  - U^^-^J^M-i' 1 I I, ' I I I I ' >->.l ,^J-4-J—^^_l_« . i,
     .1C
   U.20-
   o'""L^"j^|^;
   f ' ' " "

    -h^—'.20
^_ _J_:l4._;
^  —i-.-i—::o
             Figure 6.   Infrared  spectrum  of compound  A (Nujol)
     The physical data suggest  that  compound A is  1,2-dihydroxy-l,2-dihydro-
dibenzo-p_-dioxin.  Additional support  for  the assigned structure was provided
by the tcid-catalyzed dehydration of compound A.   Compound A (53 mg) was dis-
solved in 20 ml of ethyl  ether.   Concentrated HC1  (5.0 ul) was added to the
solution.  After 1 hour  of  intubation  at 27  C the  solvent was removed.
                                       22

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leaving 45 nig of a solid residue.  The  physical properties of the resulting


compound were found to be identical with compound B which was previously  iden-


tified as 2-hydroxydibGnzo-£-dioxin.
            O 0.8
            tt.
            cc
            O
               0.4
               0.2
                 220    2<0     ?.CO    260     500

                                WAVELENGTH  (ntn)
320
            Figure 7.  Ultraviolet spectrum of  compound  A (MeOH)
                                      23

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Figure 8.  Proton magnetic resonance spectrum of compound A  (Pyridine-d^).
           The hydroxyl protons were exchanged with  D£0  before recording
           the spectrum as they interferred v/ith the  signal  given  by  H(5).

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TABLE 4.  ANALYSIS OF THE PROTON MAGNETIC RESONANCE SPECTRUM OF COMPOUND A
                             H{5)
                     (5JH
                             K(5)
Proton Cheaical Shift (i)
1 4.55
2 4.S2
3 5. SO
4 6. 06
5 6.70-7.00
i
IK {dt hydroxy^ithlnc,
4j'g • 6.5 H»J
1H fa, hydreisyasthine,
Jj ^ = C.S Hz]
1H (lid. ok-flnit,
Jj « » tQ.O Hi
Jj^ - 3.0 Hz)
1H (a, oleflnlc.
J<|3 • 10.0 Hz]
4H (CD, aronvsttc)
                                     25

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     Although the results obtained establish the structure of compound A as
l,2-dihydroxy-l,2-dihydrodibenzo-p_-d-ioxin, they do not distinguish between
the possible cis and tr?ns stereoisomers.  Evidence for a cis configuration
was obtained by the synthesis of an isopropylidine derivative (3).  Compound
A (290 tng) was suspended in 20 ml of 2,2-dinethoxypropana.  The suspension
was chilled in an ice bath prior to the addition of 1.0 rcg of p_-toluenesul -
fonic ecid.  The reaction was monitored by thin-layer chromatcKraphy.  After
4 hours the presence of compound A in the reaction mixture could no longer be
detected, however, a nonpolar compound  (compound C; Rf 0.64) was observed
that absorbed ultraviolet light and gave a yellow-brown color with Gibbs
reagent.  At this point, triethy la-nine  (0.2 ml) was added to neutralize the
acid and the solvent was removed in vacuo at 35 C.  The oily residue (335 ng)
was dissolved in a small volume of hexane and applied to the top of a column
of basic alumina (1.0 x 16.0 cm).  Elution with benzene/hexane  (1:1) yielded
90 mg of a white solid.  Compound C had the following physical  properties:
melting point, 97-99 C; [a]5 + 232°  (c = 0 41 in methanol ) ; mass spectrum,
calculated for  12C151H141604,  253.0892,  found mass 253.0885.  The infrared
spectrum  (Nujol)  showed  maxima at  5.85,  6.27, 6.93, 7.93, 7.95, 8.67, 8.9,
10.8, 12.7, and  13.4 ym  (Figure 9).   The ultraviolet  spectrum in methanol
(Figure 10) exhibited absorption maxima  at 228 nm  (e = 13900) and 297  nm  (e =
2300).  The proton  magnetic  resonance spectrum  is shown  in  Figure 11.  An
analysis  of the  proton magnetic resonance spectrum of compound  C is given  in
Table 5.  These  observations establish  the structure  of  compound C as  1,3-
di oxol 0-2 ,2-dimethyl -1 ,2-di hytirodi benzo-p_-di oxi n .
                                      26

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4CDO 3DCO      2COO      J5C3
0.0^r

.10
                                               ICCO   900     CSO
  S-
  <
  £.20

      :  t V ''
      re


     > T t a iit LJ^-i , k H* ij yiiin.t - -j fca i n.'-NJ ^jin^.- ••irfiiali'S^'-
                                                      U     12
              Figure 9,   Infrared spectrum of compound  C  (Nujol)

     The  present study  has demonstrated that cis-1,2-dihydroxv-l.2-dihvdrodi-
benzo-£-dioxin  is the first detectable metabolite  in the oxidation of dibenzo-
£-dioxin  by a Pseudomonas  sp.  It should be noted that the  cis-stereochemis-
try of the !:/droxyl  groups was inferred by the formation of  an  isopropylidene
derivative witn  2,2-din^thoxypropane (3) and also  from the fact that cis-
dihydrodiols  have been  implicated as intermediates in  the bacterial  metabolism
of a variety of  aromatic  hydrocarbons (11).  The cls-dibenzo-£-d1oxin dihydro-
diol can  subsequently undergo acid-catalyzed dehydration to  yield 2-hydroxy-
dibenzo-£-dioxin.

-------
          240   LJO    2L3    SCO
                 WAVELENGTH  (nrr.J
Figure 10.  Ultraviolet spectrum of compound C  (HeOH)
                         28

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                                                            II
                                                      LJ
Figure 11.   Proton magnetic resonance spectrum of compound  C  (CDC10)
                                  29

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TABLE  5.   ANALYSIS OF  TiiE  PF.OTOFi  fJlSuETIC  RESOilfJiCE SfECTRi;; OF  CC::"Ci:;!D C
                         <6)H
                                                    K{5)
                     FrotxJB
Chdtcal Shift {«)
                                                            Descrtplisn
                                      1.44
                                       «.90
                                       s.ea
                                     6.62-6.50
                       3H l». KttrylJ


                       El (S.
                                                        IK Id.
                                                           J. - • 3.0
                                                        1H
                                                            J, , • 6.0 i:z
                                                            j^': • 3.0 lu)
                       1H ((M. olcHntc.
                           J . r • 10.0 Hi
                           J*1* • 3.0 Hll


                       \H Id. clfflntc.
                           J, . • 10.0 Hi)
                       
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Metabolism of T,2-d1hydroxy-7,2-dihydrodibenzo-,n-dioxiri by cell extracts
     When cell extracts prepared from the parent organism v;ere incubated under
anaerobic conditions with cis-1,2-dihydroxy-l,2-dihydrodibenzo-p-dioxin and
NAD+, a product of the reaction (compound D) s*as detected by thin-layer chro-
matography (Rf 0.3") that absorbed ultraviolet light and gave an intense brown
color with Gibbs reagent.  In a large-scale reaction, crude cell extract (80
mg of protein) was mixed with ci_s_-l ,2-dlhydroxy-l ,2-dihydrodibenzo-p_~dicxin
(0.7 mmoles) and NAD+ (1.0 mmoles) in 40 ml of 0.05 H KH2P04 buffer, pH 7.2,
and incubated under anaerobic conditions in a sealed serum bottle.  After 3
hours, the reaction mixture was acidified with 0.5 ml of 5 N HC1 and extracted
with three volumes of ethyl acetate.   The organic extracts were pooled, dried
over anhydrous f^SO^, and the solvent removed in vacuo at 35 C to yield 185
mg of a solid residue.  The residue was suspended in a small volume of chloro-
form and loaded onto the top of a silica-gel column (1.0 x 20.0 cm; 25% HjC).
The column was eluted with 500 mis of chloroform and 10 ml fractions were
collected.  The presence of compound D TT fractions 16-28 was detected by thin-
layer chrosnatography.  These fractions were pooled and the solvent rernoved to
yield 90 mg of compound D which was further purified by two recrystallizations
from hexane/acetone.
Identification of Compound D
     The white crystals obtained after recrystallization had the following	
physical properties:  melting point, 172-173 C; mass spectrum, calculated for
12c12lH816o4' 216-0422, found mass, 216.0422.  The infrared spectrum (Nujol)
showed maxima at 2.85, 3.06, 6.15, 6.3, 7.73, 10.8, 12.72, and 13.4 vm (Fig-
ure 12).  The ultraviolet spectrum in methanol (Figure 13) exhibited maxira
at 229 nm (c = 30800) and 289 ran  (c = 3300).  The proton magnetic resonance
                                   31

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spectr-m of  compound D in douterated acetone is sho,;n in Figure 14.  An ?naly-

sis of the spectrun is given in Table 6.  Due to a rapid excr.or?? rate the hy-

droxyl protons  were not observed at arrbient  temperature, hov.-ever they ware

observed at  8.65  6  when the spectrum was record-! at -15 C.

     The results  of the physical  data surest that cc7pc»nd  D is l ,2-dihydroxy-

dibcnzo-£-dioxin.   This observation is consistent i.-;th t^? f. ct thn several

£is_-dihydrodiols  have been shown to be oxidized to cct?crois tv pyridine

nucleotide-d,?pendent dehydrooenases (1,23,25,26).
4
.._.
,-T


3000
-•
::.
:::..;-
• -
-^r-
/T-j-
Mi.



H
i:
2C
-
•
CO 1500 OV 1(^0 9^0 f'.D /CO
'* 	 I 	 \~~ ''-'I • i " T ---' — 1 - -| : * - ' •' i * T
	 • 	 — r~ 	 -.—• 	 ' 	 k— 	 • 	 ' 	 1 	 — 	 	 .- - 	 • 	
: • . :
~~
--)--;-. -- -r '--- ^"-, -^ L— . ^:f-^- .:- •-!--•' ; ;- •[ \ '-;
i •-;• r---" ' • • i • " ' • ! : 1 • • • - i ' '. • ' :
•• . . !!' -1 : ! -I . li i . i--!-.;. • ; ' '
l ' ' ' 1 ' " " ; ' • i 1 - t i ' ' ' '
• •

::::;:::-j:::-: . • -j -.;.{•.--) J-;.;- : i" i j t ; <


........... . 1 . .. , - , 1 1 . . . 1 . ,

L '
...., .

... :.. ....
- ' • ' • ' r- . -•! . l i - i '. : i . : . v
' : ' ' ! '. ' j '• ':.[.-' i I ' ' |
lllll . .;!. ..li.,L


^iiilu^ 	 UW ii.liii ?". ' r' ' :- ' -- K ..a 	 !_j 	 1.... ...i .... 	 U_l
--3.0
— j.;o
-
l
'"
rn

. . , 7n

— jl.O
— <70
                              7     C     9    ID    it     i2     13    J4    li,
                               WAVHIWGTH (Ar^CCO-M-
             Figure 12.  Infrared  spectrtzn of  compound  D (Nujol)

-------
          240
ECO    200   £00
WAVELENGTH (on)
Figure  13.  Ultraviolet spectrum of coiripound D (MeOH)
                        33

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                                                           I
                                                                        JL
   Figure  14.   Proton magnetic resonance spectrum of compound  D  (Acetcne-d^)

Oxidation of  1 ,2-dihydroxydibonzo-p-riioxin  by  cell  extracts
     Polarographic  experiments were  performed  to test  the ability  of  1,2-
dihydroxy-dibenzo-p_-dioxin  to serve  as  a  substrate  for the 1,2-dihydroxynaph-
thalene oxygenase in extracts of  the parent strain  of  Pseudorr.jnas  sp.  fi.C.I.B.
9816 (Figure  15).   An initial  investigation revealed that cell  extracts were
extremely active on the  physiological substrate  1,2-dihydroxynaphthalene  (4724
nmoles of 02  consumed/min per mg  of  protein),  however  only slight  activity was
observed with  1,2-dihydroxydibenzo-p_-dioxin (54  nmoles of C^  consureo'/min per
mg of protein).  It was  also  noted that incubation  of  cell extracts  (C.15 rcg
of protein) with as low  as  10 nmoles of 1 ,2-dihydroxydibenzo-p_-dioxin  led to
the complete inhibition  or  inactivation of  the 1,2-dil)ydroxyr,3?lithclene oxygen-
ase,  as additions of  1.0 pmole  of 1,2-dihydroxynaphthalene did not  result in
further enzyrratic activity.
                                       34

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TABLE  6.   ANALYSIS OF  THE PROTON MAGNETIC RESONANCE SPECTRUM OF  COMPOUND D
                                HC3)
                 OH (4)
                       (3}H
                       (3)H
                        OHM)'
                                H{3)
                 HC2)
                 Proton
Chcaiwl Shift («}
                                                       tescrJptlon
                                   6.45
                                   6.52
                                 S.D3-7.08
                                 8.25-6.S6
                       1H [de
                                                              o.o (i
                       JH [d. arcaatlc
                          J, , • 2.0 H
                       4H (•. fi row tie)



                       2H Ib, hydroxylj

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          100.0
       s
       3
       cr>
      1 c
       o
       o
       O   50.0r
       vt
       o
             0.0
                                  0.5                1.0

                                        Time (min)
  Figure  15.  Polarographic assay of 1 ,2-dihydroxynaohthalene oxycenase  in


              cell-free extracts of Pseudcrconas sp. N.C.I.B.  9S15.
Oxidotion of dibenzo-p-dioxin and chlorinated dibgnzo-p-dioxins by Pfii


sp.


     Duplicate cultures (500 ml) of the parent strain of Sei jerinckia sp.  were


g,x>wn to mid-log phase in mineral salts broth on succinate with biphenyl  as an


inducing substrate.  In addition, an anion-exchanqe resin (AG 1-X8; 5.0 g/1)


was included to remove acid products (19).  The ability of whole cells of


Bei jerinckia sp. to oxidize dibenzo-£-dioxin and several chlorinated dibcnzo-


pj-dioxins was investigated.  The rate of oxidation of the dibenzo-p-dioxins


was compared to the ability of the organism to oxidize bipiienyl.  Results  of
                                      35

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                                                                                     .-. '
                                                                                    -<
Figure 15 Legend.
      Polarographic assay of 1,2-dihydroxynaphthalene oxygenase in cell-free
      extracts of  Pseudoinonas sp. N.C.I.B. 9816.
      Activity of  the 1,2-dihydroxynaphthalene oxygenase was monitored polaro-
      graphically  as described in Materials and Methods.  A protein concentra-
      tion of 0.15 mg was used in the analysis.  The reaction was initiated
      witn the addition  of; 100 nrnoles of 1,2-dihydroxynaphthalene in 10 ul
      of anhydrous tetrahydrofuran (	), 10 nmoles of 1,2-dih3'droxy-
      dibenzo-p_-dioxin in 10 yl of anhydrous tetrahydrofuran (	), and
      100 nmoles of 1,2-dihydroxydibenzo-p-dioxin in 10 pi of anhydrous tetrs-
      hydrofuran (	).  At the  point indicated by the arrow 1.0 vimole
      of 1,2-dihydroxynaphthalene (in 10 pi of anhydrous tetrahydrofuran) was
      added.  All  rates  were corrected for endogenous respiration and for the
      nonenzymatic oxidation of 1,2-dihydroxynaphthalene.  No auto-oxidation
      of 1,2-dihydrcxydibenzo-p_-dioxin was observed under the assay conditions
      described.

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the ^investigation are summarized in Table 7.  Dibenzo-2.-dioxin wes oxidized
at a lower rate than the monochlorinated diber.zo-^-dioxins.   The fact that
monochlorinated dibenzo-£-dioxins were oxidized faster than  the parent com-
pound may reflect substrate or product inhibition of the enzy:r.?s systems  in-
volved.  Further studies are needed to clarify thi: point.   The rate of oxi-
dation of the chlorinated dibenzo-o-dioxins oc-creared with  an incrriring  de-
gree of chlorine substitution.

TABLE 7.  OXIDATION OF SUBSTRATES BY WASHED, WHOLE CELLS OF BEToZRr'^'r SP.
Substrate1
Siphenyl
Dibenzo-p_-dioxin
l-Chlorodibenzo-p_-dioxin
2-Chlorodibenzo-p_-dioxin
2,3-Dichlorodibenzo-p_-dioxin
2,7-Dichlorodibenzo-p^-dioxin
2,8-Dichlorodibenzo-£-dioxin
l,2,4-Trichlorodibenzo-£-dioxin
Specific activity^
72.3
29.8
52.5
52.6
11.2
8.5
8.5
6.5
Relative rate (x')
100.0
41.2
72.6
72.7
15.5
11.3
11.8
8.9
   ^All substrates added in N,N-dimethylfonnamide  (200  nmole5,/10.0 vl)
   ^Oxygen uptake at 30 C  (nmoles of Oo consumed/mi n  per nv} of  protein)
Oxidation of dibenzo-D-dioxin  (I)  by  B^jerindiia. B3/35
     When BeijrHnckia  B8/36 was grown  in  mineral  salts  madiun containing  0.2?
succinate and 0.05*  dibenzo-p-dioxin  (I)  a neutral  product {compound  1A) was
                                       37

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detected in the culture medium.  Compound IA (Rf 0.22) absorbed ultraviolet
light and gave a brown color with Gibbs reagent.  Growth of the culture and
accumulation of compound IA with time are shown in Figure 16.  After 24 hours,
duplicate cultures were extracted to leave 5.8 mg of a solid residue.  Purifi-
cation of the residue led to the isolation of 3.0 mg of a crystalline product
that melted at 135-136 C (compound IA).  The metabolite had mass, infrared
and ultraviolet spectra identical to those of 1,2-dihydroxy-l,2-dihydrodibenzo-
£-dioxin.  This product was previously obtained from the co-oxidation of di-
benzo-p_-dioxin by Pseudomonas sp. N.C.I.B. 9816 strain 11.  Further support
for this structure was provided by the conversion of compound IA to 2-hydroxy-
dibenzo-p_-dioxin.  Compound IA (2.0 mg) was suspended in 3.0 ml of methanol
and the reaction was initiated with the addition of 10.0 pi of 5.0 N ^SO^.
After 30 min incubation at 27 C the solvent was removed, leaving 2.0 mg of a
solid residue.  Thin-layer chromatography of the residue revealed that com-
pound IA was converted to a phenolic product (compound IB; Rf 0.5) that geve
a purple color with Gibbs reagent.  The latter compound was also detected in
the co-oxidation cultures after 20 h.  Compound IB was identified as 2-hydroxy-
dibenzo-p_-dioxin, having a melting point, mass, infrared and ultraviolet spec-
tra identical to those of the known standard.  Preliminary evidence for a cis-
configuration of compound IA (1.0 mg) was suspended in 3.0 ml of 2,2-dimethoxy-
propane and the reaction was initiated with the addition of 0.1 mg of p_-tolu-
enesulfonic acid.  Analysis of the reaction mixture by thin-layer chrornatog-
raphy revealed the formation of a nonpolar product (compound 1C; Rf 0.64) that
absorbed ultraviolet light and gave a yellow-brown color with Gibbs reagent.
These results indicate that c^s_-l,2-dihydroxy-l,2-dihydrodibenzo-n-dioxin is
the first detectable metabolite of the oxidation of dibenzo-p_-dioxin by
                                      33

-------
        -'"•'•'e SP-  This compound can subsequently undergo a r;cn-cr..'ry-3tic dehy-
dration to yield 2-hydroxydiben2C-£_-dioxin.
           1.2





           1,0





       «  °'S
       o
       c



      I  O'S
       t/>
      .a
      <

          0,4





          0,2





          0,0
                      4
                                     Tims   (h)
      Figure 16.  Growth and accumulation of compound IA by cultures  of


                  Beijerinckla E3/35. (legend next page).
Oxidation of chlorinated dibenzo-n-dioxins by B^lisrj_rc,kj? DS/j^


     Beijcrinckia 38/36 was grov.n in duplicate cultures as above with the ex-


ception that dibenzo-jv-dioxin was replaced by 1-chloro- (II), 2-chloro- (III),
                                      39

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Figure 16 Legend.
     A 500 ml  culture was grown as described in the text.   Growth of the culture
     was  monitored turbidometrically at 600 nm (	).  Accumulation of
     compound  IA was measured quantitatively as described., in Materials and
     Methods.   Analysis of the ultraviolet spectrum of compound IA indicated
     an absorption maximum at 227 nm.   Accumulation of compound IA with time
     is expressed as A227 per ml of culture (	).

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2,3-dichloro- (IV), and 2,7-dichloro-  (V) dibenzo-n-dioxins.  The accu-,:ul?.tion



of neutral products (compounds  IIA and  IIIA) was detected in cultures contain-



ing monochlorinated dibenzo-P_-dioxins  (Figure 17).  Ho products wsre cetected



in cultures grown in the presence of two dichlorinated dibenzo-p-dioxins.



     Cultures containing monochlorinated dibpnzo-£_-dioxins v:ere extracted with



ethyl acetate.  Subsequent purification led to the isolation of 2.5 nq end 1.5



mg of compounds IIA and IIIA, respectively.  The properties of the crystalline



products are surmarized in Table 8.  The results indicate tfv.t the monochlor-



inated dibenzo-£-dioxins were oxidized  to di'nydrodiols.  These results also



indicate that dibenzo-p_-dioxin  and monochlorinated dibenzo-o_-dioxins incuce



the synthesis of enzymes responsible for oxidation of the aromatic n-jclius in



the Beijerinckia sp.  Furthermore, it  appears that the dichlorinatcd dibenzo-



p_-dioxins fail to function as inducing  substrates.  Thus, the degree of chlor-



ine substitution on the aromatic ring  may have an effect on the ability of a



compound to induce the synthesis of degradative enzymes in this organism.  In



contrast, previous studies have demonstrated that dibenzo-p-dioxin failed to



induce the synthesis of enzyitri necessary for aromatic hydrocarbon degradation



in Pseudomonas sp. N.C.I.B.  .-^ifc.



     Further support for the formation of dihydrodiols was  indicated  by  the



acid-catalyzed dehydration of compounds IIA and  IIIA  to phenols  (Figure IS).



Compound IIA was converted to a product (compound  IIB; Rf 0.5)  that  absorbed



ultraviolet light and gave a purpla color with Gibbs  reagent.   Compound  IIIA



was also converted to a phenolic product  (compound  IIIB;  Rf 0.51)  that  ab-



sorbed ultraviolet light and cave  a dark  blue  color with  Gibbs  reagent.   Ad-



ditional products were not detected in the  reactions  mixtures.   It is of in-



terest that the acid-catalyzed  dehydration  of  the dibenzo-p_-dioxin and  the

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                             8      12      16    20    24     28
                                    Time   (h)
      Figure 17.   Growth and accumulation of compounds  IIA and  IIIA by
                  cultures of Beijerinckia B8/35. ('legend  next page).

monochlorinateci  dibenzo-p_-dioxin dihydrodiols appears to result  in the forma-
tion of single phenolic products.  This phenomenon may be due to resonance
stabilization or conformation of the dehydration intermediates  and hence may
favor the formation of single phenolic products (2,17).
                                     41

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Figure 17 Legend.
      Cultures (500 ml) containing 1-chloro- (II) and ?-ch1orcdibon:o-2.-
      dioxin (III) were grown as described in the text.  Grov/th of the cul-
      tures was monitored turbidometrically at 600 nm (	).       Accu-
      mulation of compounds  IIA and IIIA w?s measured quantitatively as
      described in Materials and Methods.  Analysis of the ultraviolet
      spectrum of compound  IIA indicated an absorption maximum at 235 m.
      Compound IIIA exhibited an absorption maximum at 237 nm.  The accu-
      mulation of compounds  IIA and IIIA with time is expressed as fylb
      (	)    and A^37 (	)      per ml of culture, respectively.
                                         I  '\

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TABLE 8.  PHYSICAL PROPERTIES OF THE fitTABOLITES FORMED FROM MONOCHLGRIMATED
          DIBEHZO-£-DIOXIHS BY EEIJCRIKCKIA B8/36.
Property
Rf (chloroforro:acetone)
Gibbs reaction
Melting point
U.v. maxima (methanol)

I.r. maxima (nujol )



Mass spectra (m/e)

Number of Cl
Proposed structure
IIA
0.21
Brown
130-131 C
235 ran
303 nm
3.10 urn
5.95 pm
6.37 urn
9.45 VJHI
252 (M+)
234 (-H20)
1
C12H904C1
Compound
IIIA
0.21
Brown
n.d.1
237 nm
309 PIT:
3.07 urn
5.57 vm
6.37 urn
9.45 pm
252 (H+)
234 (-H?0)
1
C-j2^qOfl^
         1
          Not done
     Preliminary evidence for a c_i£-stereochemistry of the hydroxyl  groups of
the dihydrodiols (corrpounds IIA and IIIA)  was obtained with the syntheses of
isopropylidins derivatives.  Compounds IIA and IIIA were converted to nonpolar
products, compounds IIC (Rf 0.62) and IIIC (Rf 0.62), respectively,  when incu-

bated in the presence of 2,2-dimethcxypropane as described above.  Both of the
latter products absorbed ultraviolet light and gave tan colors with  Gibbs re-
                                      42

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                               T
                             ACID
                 Compound  IIA —-» 110
2 20
300
           \Vave!cngth  (nm)
340
                                               o
                                               c
                                               O
                                              XI
                                               s,
                                               O
                                               O
                                              .Q
                                                            IIIO
                                                  c.;
                                                  c G
                                                  0.2


                                                  0.0
                                                           ACID
                                               Compound MIA —> IM3
                                                      220
                                    ,.j	„,' 	'_-„<
                                         \Vcv3lcngth  (nm)
                   Figure 18.  Acid-catolyrrrd deh>rfrat1oT of compounds IIA and IJIA
                                     (legend next page)

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Figure 18 Legend.
     Ultraviolet absorption spectra of compounds IIA and IIA was rror.itored
     before (solid lines) and sfter (dashed lines) acidification with H-,50^
     as described in Materials and .fethoris.  Each compound was isolated and
     purified by preparative thin-layer chrorratography and recrystallized
     from hexane-acetone.  Compounds IIA and IIIA (1.0 mg) were dissolved  in
     3.0 ml of methanol  and the ultraviolet spectrum recorded.  Dehydration
     of compounds IIA and IIIA was initiated with the addition of 10.0 ul  of
     5.0 N !I2S04 and the solutions were incubated at 27 C for 30 min.  Reac-
     tions were monitored by thin-layer chromatography as described.   Upon
     completion of the acid-catalyzed dehydration the ultraviolet spectrum
     was again recorded.
                                  J  fr

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agent.  The isopropylidene  derivatives  of  compounds  IIA and  IIIA wer3 round
to be highly unstable  and decomposed  to products  resembling  compounds IIC end
IIIB.  Thase result^ indicate  that  os_-dihydrodiols  are also ths initial \r.-j-
tabolites from the oxidation of rr.onochlorinated dibenzo-p-dioxins by Brn_er-
Inckjj^ sp.
Oxidation of dibenzo-n-dioxin  (I)  by  ppjjprir.rki^  qn.. ui 1 d tvn?
     When the parent  strain  of BeylGrirckjia \:as  grown  in  ninorai r^lts r.:eir-r
containing 0.2% succinata  and  0.052 dibenzo-p_-dioxin  (I),  no products v?rc- de-
tected by thin-layer  chromatography or  spectrophctometric  analysis of th-_ cul-
ture medium.  In addition, the growth of  the organism  v/as  inhibited after 4
hours (Figure 19).  To  determine  if further oxidation  was  possible, a 1er.;c-
scale culture of Beijerinckia  sp.  was grown as described  with 0.2" succir.jt?
and 0.05" biphenyl.   The washed cell  pellet  (5.0 g wet wt) was resusr?r:ce.d in
500 ml of 0.05 M KH2P04 buffer, pH 7.2, containing 0.05%  dibenzo-n-dioxin.
The resting cell suspension  was incubated on a rotary  shaker at 27 C.  After
12 hours, the suspension was filtered through glass  wool  to remove mused
dibenzo-p_-dioxin.  The  filtrate was adjusted to  ph 4.0 with concentrated H-^O.;
and extracted with two  volumes of ethyl acetate.  The organic layer was dried
over anhydrous Na^SO/j and  the solvent removed, leaving 21.0 mg of an oily resi-
due.  Analysis of the residue by  thin-layer  chroratography revealed the forma-
tion of a neutral product  (compound  ID; Rf 0.3)  that absorbed ultraviolet
light and gave an intense  brown color with Gibbs reagent.  Purification of ths
residue led to the isolation of 6.0 mg  of a  crystalline product  that melted
at 172-173 C.  Compound ID was identified as 1,2-dihydroxydibenzo-p_-dioxin,
having mass, infrared and  ultraviolet spectra  identical  to those  of  the  bio-
logical product previously characterized.

-------
    a
   .n
    t-
    o
        0,5
        0,4
         >.2
        0.1
        0,0
                                       12
                                 Time  (h)
i >••»
lo
o/i
           Figure 19.  Effect of dibenzo-£-dioxin  on  the growth of
                      Beijerinckia sp.,  wild type

     It is  of  interest that growth of the parent strain of Beijerinckia on
succinite was  inhibited when dibenzo-p_-dioxin (0.05%) was included in the cul-
ture medium.   As cis-T ,2-dihydroxy-l,2-dihydrodibenzo-p-dioxin was not inhibi-
tory for the growth  of the mutant strain  (B8/36) of Beijerinckia, the toxic
effects may be due to the oxidation of dibenzo-p-dioxin to 1,2-dihydroxydiben-
zo-£-dioxin.   The toxicity of 1,2-dihydroxydibenzo-p_-dicxin  was inferred from
from the fact  that the compound was found to accumulate when resting cell sus-
pensions of the parent strain of Dgijorinckia were incubated in the presence
                                      45

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Figure 19 Legend.



     Cultures (500 ml) of  the parent strain of Ooi.icrincki^ Here gro.vn in min-



     eral salts broth with 0.2% succinate as the carbon source.  E/.p"-ir?ntc/i



     cultures contained  0.052 dibenzo-£.-dioxin.  Growth of control (	'l



     and experimental  (	 —)  cultures was rcor.itortd turbidcrnetr:cully



     at 600 nm.

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of dibenzo-j[>-dioxin.  Furthermore, growth inhibition of the parent strain was


observed after four hours.  This period corresponds approximately to the amount


of time required by the organism for induction of enzymes necessary for aro-


matic hydrocarbon oxidation, as indicated by the accumulation of c_js_-l ,2-di-


hydroxy-1,2-dihydroc*ibenzo-£-dioxin after four hours by Beijerinckia B3/36.


Oxidation of1;2-dihyciroxydibenzo-p.-dioxin by cell extracts


     Polarographic experiments with cell extracts were conducted to test, the


ability of 1,2-dihydrox.ydibenzo-p_-dioxin to serve as a substrate for enzymes


responsible for the oxidative fission of the aromatic nucleus (Figure 20).
              100
           o
           S
           c
           a>
           6


           1  50
           o
           w


           o"
                               0.5             1.0

                                   Tims  (mtn)
5,5
       Figure  20.  Polarographic assay of ring-fission oxygenases  in


                   cell extracts of Beijer1ncM_a sp.  (legend  next  page)
                                       46

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Figure  20 Legend.
     The reaction  vessel  contained, in a tot.il volume of 1.4 ml, 0.05 !•;  ^i'?.;
     buffer,  pH  7.5,  and  cell extract (0.81 mg of protein).  The reaction \:as
     initiated with the addition of 100 nmoles of catechol  (	). 1 r,--,u.-«
     of 2,3-dihydroxybiphenyl (	), 100 nmoles of 1 ,2--dihydroxyditcri::c.-£_-
     dioxin  (	) and 10 nmoles of 1,2-dihydroxydibenzo-g_-ciioxin  (  	},
     all in  10  vl  of N,N-dirr>ethy1forrcamide.  At  the  time  indicated  by  the arro.'
     ( + ), 100 nmoles of catechol or 2,3-dihydroxybiphenyl was  odd-;d.   All rite-
     were corrected for endogenous respiration.  No  auto-oxidation  of  tho c^t.e-
     chol substrates was  observed under the assay conditions described.

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An initial investigation revealed the ce'Jl extracts were active on the physio-
logical substrates,  2,3-dihydroxybiphenyl (64.1 nir.oles of Q2 consumed/min per
mg of protein} and catechol (212.2 nmoles of 02 consumed/min per mig of pro-
tein).  Cell extracts exhibited a brief initial rate of oxidation of 1,2-
dihydroxydibenzo-£-dioxin (98.6 nmoles of 02 consumed/min per mg of pvotein)
and then rapidly fell to the non-enzymatic rate.  In addition, incubation of
cell extracts (0.81  mg of protein) with as low as 10 nmoles of 1,2-dihydro>:y-
dibenzo-£-dioxin led to complete inhibition or inactivation of the catechol
and 2,3-dihydroxybiphenyl oxygenases, as additions of 100 nmoles of either
substrate did not result in further enzymatic activity.
     To determine if both enzymes catalyzing the oxidative fission of the aro-
matic nucleus were capable of oxidizing 1,2-dihydroxydibenzo-g-dioxins the
2,3-dihydroxybiphenyl oxygenase was separated from the catechol oxygenase by
ion-exchange c;iromatography (Figure 21).  A crude cell extract (0.23 g of pro-
tein) was loaded onto a column of DEAE-cellulose (1.4 x 8.0 cm) which had been
previously equilibrated with 0.05 M KH2P04 buffer, pH 7.5, containing 10%
acetone (phosphate-acetone buffer).  The column was washed with 50 ml of
phosphate-acetone buffer, and 10 ml fractions were collected.  The two activi-
ties were eluted separately using a stepwise KC1 gradient in phosphate-acetone
buffer.  2,3-Dihydroxybiphenyl oxygenase was eluted with 0.2 M KC1 in phos-
phate-acetone buffer (fractions 18-21) and exhibited activity with both 2,3-
dihydroxybiphenyl and ce-techol.  The catechol oxygenase was eluted with 0.4 M
KC1 in phosphate-acetone buffer (fractions 23-28).  Fractions from each peak
with the highest specific activity were pooled and utilized in further studies.
     To determine if tho activity present in fractions 18-21 was due to a
single protein species,  the effect on activity of incubation at 55 C with

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                 0.0
                                 Frcstlen
      Figure 21.   Separation  of  the  2,3-dihydroxybiphenyl and catechol

                   oxygenases  by  ion-exchange  (DEAE)  chromatography
                   (legend next page)

time was investigated.  The activity in  the fraction for both 2,3-dihydroxy-

biphenyl and catechol was  found  to decrease at  the same rate with tine.  Thus,

it was assumed that the activities were  due to  the action of a single enzyne,

which was tentatively identified as  the  2,3-dihydroxybiphenyl oxygensse.

     Polarographic experiments were  performed to  test the ability nf  1,2-

dihydroxydibenzo-p_-dioxin  to  serve as  a  substrate for the partially purified
                                       48

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Figure 21 Legend.
     Protein was eluted from the column with a stepvn'se gradient of 60 ml of
     0.1  M KC1  in  phosphate-acetone buffer, 70 ml of 0.2 M KC1 in phosphate-
     acetone buffer and 120 ml  of 0.4 M KC1 in phosphate-acetone buffer.
     Samples (10-100 yl) of each fraction were analyzed spectrophotometrically
     for  oxygenase activity with catechol U  -  &) and 2,3-dihydroxybipher.yl
     (a  -  a)  as  described.  Enzyme activity is expressed as  moles of product
     fcrmed/min per ml  of fraction.  Protein concentration"(e - ©) in the frac-
     tions was  determined by the method of Lowry e_t al_. (20).

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2,3-dihydroxybiphenyl and  catechol  oxygenases.   The  results  of  the  £n:lyses
are surcnarlzed in Table 9.   The  2,3-dihydroxybiphenyl  oxyganas- (O.-S r-?  Of
protein) was capable of oxidizing  both  1,2-dihydroxydibenzo-P-dioxin ir.t  2,3-
dihydroxybiphenyl, while the catcchol oxyganase  (0.54  n.g  of  protein) \;?G  un-
able to oxidize  1,2-dihydroxydibenzc-p_-dio>:in.
     Spectrophotcmetric assays were utilized  for kinetic  analyses to c;t>rrr,ire
the type of inhibition exhibited by 1,2-dihydroxydibenzo-p_-dioxin \/ith  re^r^ct
to the physiological substrates  of the  partially purified 2,3-dih;^roxyhio!ic-,-;yi
and catechol oxygenases.   All  inhibition  studies were  conducted after r,-0-inrL.
bation of the enzyme with  the inhibitor for  1 min prior to initinticn of  tht
reaction with the appropriate substrate.   Activity of  the 2,3-dihyoro. •  ji-
phenyl oxygenase was monitored using a  protein concentration of 0.12 r.-.'n1
The Michaelis constant (Km)  for  2,3-dihydroxybiphenyl  was 8.3 pM.   The  ^',r.-
of varying concentrations  of 2,3-dihydroxybiphenyl was determined in t1-?  •:'.-:•:-
ence of 1.0 pM 1,2-dihydroxydibeni.  g-dioxin.  Results of the ana'yscs  v:-rc
used to prepare  a Lineweaver-Burke plot (Figure  22a).   Act'.vity of  the  <;L~>. -
chol oxygenase v/as monitored using a protein  concentration of 0.2 r.g/nl.   "me
Km for catechol was  found  to be  7.1 yM.  The  effect  of varying  concentration?.
of catechol was  determined in the  presence of 0.4 pM 1,2-dihydroxydi?er^o-r-
dioxin.  A Lineweaver-Burke plot was prepared from the resu'its  (Figure  22b).
These investigations indicate that 1,2-dihydroxydibenzo-p_-dioxin is a potent
mixed-type inhibitor of both the 2,3-dihydroxybiphenyl and catechol oxyqc-nasc-:,
present in this  organism.
     It is noteworthy that the further  Jegradation of 1,2-dihydroxyaiber.zo-^-
dioxin does not  appear to  be favored due to the   inhibition and  possibly t:>e
inactivation of  the  ring-fission dioxygenases by  this metcral ite.   A similar
                                      49

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     TABLE 9.   POLAROGRAPHIC ANALYSIS OF THE ACTIVITIES OF THE PARTIALLY
               PURIFIED 2,3-DIHYDROXYBIPHENYL AND CATECHOL OXYGENASES.
                       2,3-Dihydroxybiphenyl  oxyqenase
                   Substrate1
          2,3-D-" hydroxybi phenyl
          1,2-Dihydroxydibenzo-£-dioxin
Specific activity^
      35.6
      64.43
                             Catechol  oxyqenase
                   Substrate                     Specific activity
          Pyrocatechol                                 206.9
          1,2-Dihydroxydibenzo-p_-dioxin                 0.0
       TAH  substrates  added in N.N-dimethylformamide (100 nmoles/10.0
        Specific activity (nmoles of Q£ consumed/min per rng of protein)
        Initial  rate -  fell  rapidly to non-enzymatic level
phenomenon was observed during the oxidation of dibenzo-p_-dioxin by Pseudomnnas
sp. N.C.I.B. 9816.  The present investigation nas revealed that 1,2-dihydroxy-
dibenzo-p_-dioxin is a potent mixed-type inhibitor of both the 2,3-dihydroxy-
bi phenyl and catechol oxygenases present in the Beijerinckia sp.  The nature
of this inhibitory phenomenon is under current investigation.
                                      50

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                I	L^-l	I—.1   !><)(«,
                                              SO     14
                                    -g-  x toj(r.r()



Figure 22.   E.'fcct of  L  2-dihydroxydib-jr:;o-p_-dTO.x-in or  m

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Figure 21.  Effect of 1,2-dihydroxydibenzo-p_-dioxin on ring-fission
            oxygenases from Bei.ierinckia sp.

A.  Effect of 1,2-dihydroxydiben70-p.-dioxin on 2.3-dihvdrox.ybiphenyl
    oxygenase.
    The enzyme was pre-incubated in the presence of 1.0 yH 1,2-dinydroxy-
    dibenzo-p_-dioxin for 1 min prior to initiation of the reaction with
    substrate.  Activity of the 2,3-dihydroxybiphenyl oxygcnase was de-
    termined at various concentrations of 2,3-dihydroxybiphenyl in t::;
    presence (o 	o) and absence (e 	©) of the inhibitor.

B.  Effect of 1,2-dihydroxydibgnzo-p-dioxin on catechol oxyngnase.
    The enzyme was pre-incubsted in the presence of 0.4 pM 1,2-dihydroxy-
    dibenzo-p_-dioxin for 1 min prior to initiation of the reactk.n with
    substrate.  Activity of the catechol oxygenase was determined at, vari-
    ous concentrations of catechol in the presence (o 	 o) and absence
    (a 	 e) of the inhibitor.
                                 52

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                                   RERTEI.CES
1.  Axcell, B.C., and  P.J.  Ccary.   The r?tr,boli:,~ of l':r;i-nc f-/ !>;c-Leru.  Puri-
    fication and some  properties of the enzy;.-- cjj^-1 ,2-d•;hydroxyc; clch:.-x;<-j .5-
    diene  (nicotinomide  adenir.? dinculcoti^?) oxidomd'-cttis'"' (rir -.K:ii:cr!C' r'\-
    col dehydroi'onase).   Biochcm.  J.  135:927-934, K73.
2.  Badger, G.M.  An interpretation of sn^.s elimir^ticn rot'.c:tiop" ir1 ^r.-ub^-, .
    tuted  dihydro-derivatives of eroniatic compounds.  J. Ch^n. Sec. 2-'^7-L:...'i,
    1949.
3.  Brown, B.R., and J.A.H.  "^cBride.  New r.^thods for ^E?icT>--"it of rr    ,\.-
    configuration to 2,3-tr?ris-flavgn-3,A-dio1s.  0. Cne~. Soc. 3''?7-2..?,',  1 :•••-!.
4.  Cantrell, J.S., N.C.  K'ebb, and A.J. t-hbis.   Identification f-nr c-/:,-.;,,
    structure of a hydro-pericardiem-proJucing factor:  1,2,3,7,8,9-H.fx;cnlc>ro-
    dibenzo-£-dioxin.  Acta Cryst. B25:150, 1969.
5.  Catelani, D., A. Cola~bi, C. Sorlini, and V. Trcccani.  Metabolic rf  bi-
    phenyl.  2-Hydroxy-6-oxo-6-phenylhexa-2,'5-dienoate:   the n?t_a_ clcavr^e
    product from 2,3-dihydroxybiphenyl by PseudoMonas  putida.  biocRc/n.  J.
    124:1063-1056, 1973.
6.  Corner, E.D.S., and  I.  Young.  Biochemical studies  of toxic  agents.   The
    metabolism of naphthalene in animals of different  species.  rnccrrjr:..  J.
    58:647-655, 1954.
7.  Crosby, D.G., and  A.S.  Wonq.  Environmental  degradation of 2,J.7,C-vtrd-
    chlorodib(inzo-£-dioxin.  Science-  195:1337-1333,  1?77.

-------
  •8.  Crosby. D.G., A.S. Hong, J.R. Plimmer, and E.A. Woolson.  Photodecomposi-
      tion of chlorinated dibenzo-p_-diox.inr..  Science 173:748-74?, 1971.
 v9.  Davies, J.I., and U.C. Fvans.  Oxidative metabolism of naphthalene by
      soil pseudonionads.  Biochem. J. 91:251-261, 1964.
  10.  Gibbs, H.D.  Phenol tests. III. The indophenol test.  J. Biol.  Chem. 72:
      649-564, 1927.
  11.  Gibson, D.T.  Biodegradaticn of aromatic petroleum hydrocarbons.  In:
      Fate and Effects of Petroleum Hydrocarbons in Marine Ecosystems and Organ-
      isms, D.A. Wolfe, ed.  Perganrnon Press, Oxford, 1977.  pp. 36-45.
  12.  Gibson, D.T., V. Mahadevan, D.H. Jerina, H. Yegi, and H.J.C. Yeh.  Oxida-
      tion of the carcinogens benzo(a)pyrene and benzo(a)anthracene to dihydro-
      diols by a bacterium.  Science 189:295-297, 1975.
  13.  Gibson, D.T., R.L. Roberts, H.C. Hells, and V.M. Kobal.  Oxidation of bi-
      phenyl by a Beijerinckia species.  Biochem. Biophys. Res. Cow,;un. 50:211-
      219, 1973.
  14.  Gilnan, H.. and J.J. Dietrich.  Halogen derivatives of dibenzo-p_-dioxii.«
      J. Am. Chem. Soc. 79:1439-1441, 1957.
•  15.  Hartough, H.D., and S.L. Heisel.  Hydroxyl derivatives of dibenzothiophene.
      In:  Chemistry of Heterocyclic Compounds, vol. 7, H.D. Hartough and S.L.
      Keisel, eds.  Interscience Publishers, Inc., New York, 1954.  pp. 262-268.
  16.  Hayatsu, R., R.G. Scott, L.P. Moore, and M.H. Studier.  Aromatic units in
      coal.  Nature (London) 257:378-330, 1975.
  17.  Jerina, D.M., H. Selandcr, H. Yagi, H.C. Wells, J.F. Davey, V. flahadevan,
      and D.T. Gibson.  Dihydrodiols from anthracene and phenanthrene.  J. Am.
      Chem. Sec. 98:b988-5996,  1976.
  18.  Kearney, P.C.,  E.A. Uoolson, and C.P.  Ellington, Jr.   Persistence and

-------
     metabolism of cUorodioxins  in  soils.   Environ.  Sc'i .  Tecnno 1.  6:1017-1019,
     1972.
19.  Laborae, A.L., and D.T.  Gibson.  Metabolism of dibenzothicpi:yne by a
     Bgljgr-inckia species.  Appl.  Environ.  Ilicrobiol.  34:7C3-/:0,  1977.
20.  Lowry, O.H., N.J. Rosebrough. A.L.  Farr,  end R.J.  randall.   Protein mea-
     surement with the Folin  phenol  reagent.   0.  Dlol.  Ch.2n.  i:3:L'55-27r., lc:51.
21.  Matsumura, F., and H.J.  Bcnozet.   Studio:, on the bioaccur.uUtion ?nd r.icro-
     bial degradation of 2,3,7,8-tetr;.chlorodibenzo-p_-d-;oxin.   Environ, health
     Perspect. 5:253-258,  1973.
22.  Nozaki, M., H. Kagcmiyema, and  0.  Hayaishi.   r^tapyrocctc-chisc I.   Purifi-
     cation, crystallization  and  some properties.   Biochc-rn.  Z.  33":t':?-5?0,  1563.
23.  Patel, T.R., and D.T.  Gibson.   Purification  and properties  of  (-'-)-ci?-
     naphthalene dihydrodiol  dehydrogenase  of  Pseudc.-ionas  r'r-'''j':'-   J- Cacr-jriol.
     119:879-838, 1974.
24.  Pohland, A.E. and G.C. Yang.  Preparation and characterization of chlor-
     inated dibenzo-p_-dicx.ins.  J. Agr.  Food Cheni. 20:1093-1099,  \'j?2.
25.  Reiner, A.M.  Metabolism of  aro^-stic co-r.pounds in bacteria.   Purific:.^ion
     and properties of the catechol-forming enzyrre, 3,5-cycloh3xaoiene-l,?-diol-
     carboxylic acid  ('LAD'1') oxidoreductase  (decarboxylating).  J.  Biol. Ciie.:i.
     247:4960-4965, 1972.
26.  Rogers, J.E., and D.T. Gibson.   Purification and properties of the cis-
     toluene dihydrodiol dehydrogenase  of Pspudomonas p'-rtida.  J.  Skcteriol.
     130:1117-1124, 1977.
27.  Schwetz, B.A., J.H. Norris,  G.L.  Sparschu, V.K. R-owe, P.J. Gehrino. J.L.
     Emerson, and C.G. Gerbig.   Toxicology  of  chlorinated
     Environ. Health  Perspect.  5:37-99, 1973.

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28.  Shamsuzzaman, K.M., and E.A. Darnsley.   The regulation of naphthalene me-



     tabolism in PseudoTionads.   Biochem. Biophys. Res. Ccrrcnun. 60:582-589, 1974.



29.  Stanier, R.Y., N.J. Palleroni, and H. Doudoroff.  The aerobic Pseudomonads:



     A taxonomic study.  J.  Gen. Microbiol.  43:149-271, 1966.
                                        56

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