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1.
J Chemother ; : 1-14, 2024 May 20.
Artigo em Inglês | MEDLINE | ID: mdl-38766694

RESUMO

Oncology patients often experience swallowing difficulties, which can compromise adherence to treatment and consequently reduce its effectiveness. Improper handling of these hazardous drugs can lead to the risk of inhalation of particles or other exposures endangering the health of the persons involved such as nurses and pharmacists. The aim of this review is to analyse and update the recommendations for the manipulation of oral antineoplastic drugs in patients with swallowing difficulties. A literature review of articles, websites, guidelines and other documents published up to about the conditions of handling and administration of oral antineoplastic agents in oncology and oncohaematology was carried out. A table of 110 active principles was compiled. The information was grouped according to the name of the drug, instructions for oral and nasogastric tube administration and suggested recommendations. Among the drugs reviewed, 66.4% were suitable for dissolution. Although there is a lot of information in the literature, the nonstop development of new oncological drugs requires continuous updating. Therefore, we have collected the most recent data to provide a consultation tool for healthcare professionals and patients with swallowing difficulties.


This review can be used by all types of healthcare professionals, especially nurses, who handle oncological medicinal drugs. In addition, the safest handling methods for the worker have been recommended.

2.
Spectrochim Acta A Mol Biomol Spectrosc ; 274: 121071, 2022 Jun 05.
Artigo em Inglês | MEDLINE | ID: mdl-35276473

RESUMO

The rotational spectrum (4-40 GHz and 50-330 GHz) has been measured and analyzed for trifluoroacetaldehyde, also known as fluoral (CF3CHO), which is one of the degradation products of the fluorinated contaminants emitted into the atmosphere. The complexity of the spectroscopic analysis of this molecule arises from the strong coupling between the internal rotation motion of CF3 group and the overall rotation of the molecule. The value obtained for its coupling constant (ρ = 0.91723481(49)) is comparable to the corresponding value of methanol (CH3OH, ρ = 0.81), which is known for its complex spectrum. A total of 12,322 transitions of the ground, the first and second excited torsional states (ΔE1υt = 62.0183(13)cm-1; ΔE2υt = 120.3315(13)cm-1) with J ≤ 50 were included in the analysis that was performed employing the rho-axis-method (RAM), and the RAM36 code. A fit within experimental error (root mean square deviation equals to 35 kHz) has been achieved for this dataset using 47 parameters of the RAM torsion-rotation Hamiltonian. In the course of the analysis, it became evident that for such high ρ value, as it is determined for fluoral, a larger than usual torsional basis set at the first diagonalization step of the two-step diagonalization procedure is required for achieving a fit within experimental error.

3.
Biol Res ; 55(1): 8, 2022 Feb 22.
Artigo em Inglês | MEDLINE | ID: mdl-35193678

RESUMO

BACKGROUND: Salmonella Typhimurium is a Gram-negative pathogen that causes a systemic disease in mice resembling typhoid fever. During its infective cycle, S. Typhimurium is phagocytized by macrophages and proliferates inside a Salmonella-containing vacuole where Salmonella is exposed and survives oxidative stress induced by H2O2 through modulation of gene expression. After exposure of Salmonella to H2O2, the expression of the porin-encoding gene ompX increases, as previously shown by microarray analysis. Expression of ompX mRNA is regulated at a post-transcriptional level by MicA and CyaR sRNAs in aerobiosis. In addition, sequence analysis predicts a site for OxyS sRNA in ompX mRNA. RESULTS: In this work we sought to evaluate the transcriptional and post-transcriptional regulation of ompX under H2O2 stress. We demonstrate that ompX expression is induced at the transcriptional level in S. Typhimurium under such conditions. Unexpectedly, an increase in ompX gene transcript and promoter activity after challenges with H2O2 does not translate into increased protein levels in the wild-type strain, suggesting that ompX mRNA is also regulated at a post-transcriptional level, at least under oxidative stress. In silico gene sequence analysis predicted that sRNAs CyaR, MicA, and OxyS could regulate ompX mRNA levels. Using rifampicin to inhibit mRNA expression, we show that the sRNAs (MicA, CyaR and OxyS) and the sRNA:mRNA chaperone Hfq positively modulate ompX mRNA levels under H2O2-induced stress in Salmonella during the exponential growth phase in Lennox broth. CONCLUSIONS: Our results demonstrate that ompX mRNA is regulated in response to H2O2 by the sRNAs CyaR, MicA and OxyS is Salmonella Typhimurium.


Assuntos
Proteínas da Membrana Bacteriana Externa/genética , Porinas , Salmonella typhimurium , Animais , Regulação Bacteriana da Expressão Gênica , Peróxido de Hidrogênio/metabolismo , Peróxido de Hidrogênio/farmacologia , Camundongos , Porinas/genética , Porinas/metabolismo , RNA Bacteriano/genética , RNA Bacteriano/metabolismo , Salmonella typhimurium/genética , Salmonella typhimurium/metabolismo
4.
Biol. Res ; 55: 8-8, 2022. ilus
Artigo em Inglês | LILACS | ID: biblio-1383912

RESUMO

BACKGROUND: Salmonella Typhimurium is a Gram negative pathogen that causes a systemic disease in mice resembling typhoid fever. During its infective cycle, S. Typhimurium is phagocytized by macrophages and proliferates inside a Salmonella containing vacuole where Salmonella is exposed and survives oxidative stress induced by H2O2 through modulation of gene expression. After exposure of Salmonella to H2O2, the expression of the porin encoding gene ompX increases, as previously shown by microarray analysis. Expression of ompX mRNA is regulated at a post transcriptional level by MicA and CyaR sRNAs in aerobiosis. In addition, sequence analysis predicts a site for OxyS sRNA in ompX mRNA. RESULTS: In this work we sought to evaluate the transcriptional and post transcriptional regulation of ompX under H2O2 stress. We demonstrate that ompX expression is induced at the transcriptional level in S . Typhimurium under such conditions. Unexpectedly, an increase in ompX gene transcript and promoter activity after challenges with H2O2 does not translate into increased protein levels in the wild type strain, suggesting that ompX mRNA is also regulated at a post transcriptional level, at least under oxidative stress. In silico gene sequence analysis predicted that sRNAs CyaR, MicA, and OxyS could regulate ompX mRNA levels. Using rifampicin to inhibit mRNA expression, we show that the sRNAs (MicA, CyaR and OxyS) and the sRNA:mRNA chaperone Hfq positively modulate ompX mRNA levels under H2O2 induced stress in Salmonella during the exponential growth phase in Lennox broth. CONCLUSIONS: Our results demonstrate that ompX mRNA is regulated in response to H2O2 by the sRNAs CyaR, MicA and OxyS is Salmonella Typhimurium.


Assuntos
Animais , Camundongos , Salmonella typhimurium/genética , Salmonella typhimurium/metabolismo , Proteínas da Membrana Bacteriana Externa/genética , Porinas/genética , Porinas/metabolismo , RNA Bacteriano/genética , RNA Bacteriano/metabolismo , Regulação Bacteriana da Expressão Gênica , Peróxido de Hidrogênio/metabolismo , Peróxido de Hidrogênio/farmacologia
5.
Astron Astrophys ; 6492021 May.
Artigo em Inglês | MEDLINE | ID: mdl-34334795

RESUMO

We report the first detection in space of the two doubly deuterated isotopologues of methyl acetylene. The species CHD2CCH and CH2DCCD were identified in the dense core L483 through nine and eight, respectively, rotational lines in the 72-116 GHz range using the IRAM 30m telescope. The astronomical frequencies observed here were combined with laboratory frequencies from the literature measured in the 29-47 GHz range to derive more accurate spectroscopic parameters for the two isotopologues. We derive beam-averaged column densities of (2.7 ± 0.5) × 1012 cm-2 for CHD2CCH and (2.2 ± 0.4) × 1012 cm-2 for CH2DCCD, which translate to abundance ratios CH3CCH/CHD2CCH = 34 ± 10 and CH3CCH/CH2DCCD = 42 ± 13. The doubly deuterated isotopologues of methyl acetylene are only a few times less abundant than the singly deuterated ones, concretely around 2.4 times less abundant than CH3CCD. The abundances of the different deuterated isotopologues with respect to CH3CCH are reasonably accounted for by a gas-phase chemical model in which deuteration occurs from the precursor ions C3H6D+ and C3H5D+, when the ortho-to-para ratio of molecular hydrogen is sufficiently low. This points to gas-phase chemical reactions, rather than grain-surface processes, as responsible for the formation and deuterium fractionation of CH3CCH in L483. The abundance ratios CH2DCCH/CH3CCD = 3.0 ± 0.9 and CHD2CCH/CH2DCCD = 1.25 ± 0.37 observed in L483 are consistent with the statistically expected values of three and one, respectively, with the slight overabundance of CHD2CCH compared to CH2DCCD being well explained by the chemical model.

6.
Astron Astrophys ; 6492021 May.
Artigo em Inglês | MEDLINE | ID: mdl-34334796

RESUMO

We report the detection of the oxygen-bearing complex organic molecules propenal (C2H3CHO), vinyl alcohol (C2H3OH), methyl formate (HCOOCH3), and dimethyl ether (CH3OCH3) toward the cyanopolyyne peak of the starless core TMC-1. These molecules are detected through several emission lines in a deep Q-band line survey of TMC-1 carried out with the Yebes 40m telescope. These observations reveal that the cyanopolyyne peak of TMC-1, which is the prototype of cold dark cloud rich in carbon chains, contains also O-bearing complex organic molecules like HCOOCH3 and CH3OCH3, which have been previously seen in a handful of cold interstellar clouds. In addition, this is the first secure detection of C2H3OH in space and the first time that C2H3CHO and C2H3OH are detected in a cold environment, adding new pieces in the puzzle of complex organic molecules in cold sources. We derive column densities of (2.2 ± 0.3) × 1011 cm™2, (2.5 ± 0.5) × 1012 cm-2, (1.1 ± 0.2) × 1012 cm-2, and (2.5 ± 0.7) × 1012 cm-2 for C2H3CHO, C2H3OH, HCOOCH3, and CH3OCH3, respectively. Interestingly, C2H3OH has an abundance similar to that of its well known isomer acetaldehyde (CH3CHO), with C2H3OH/CH3CHO ~ 1 at the cyanopolyyne peak. We discuss potential formation routes to these molecules and recognize that further experimental, theoretical, and astronomical studies are needed to elucidate the true mechanism of formation of these O-bearing complex organic molecules in cold interstellar sources.

7.
Astron Astrophys ; 6502021 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-34334797

RESUMO

We report the detection, for the first time in space, of cyano thioformaldehyde (HCSCN) and propynethial (HCSCCH) towards the starless core TMC-1. Cyano thioformaldehyde presents a series of prominent a- and b-type lines, which are the strongest previously unassigned features in our Q-band line survey of TMC-1. Remarkably, HCSCN is four times more abundant than cyano formaldehyde (HCOCN). On the other hand, HCSCCH is five times less abundant than propynal (HCOCCH). Surprisingly, we find an abundance ratio HCSCCH/HCSCN of ∼ 0.25, in contrast with most other ethynyl-cyanide pairs of molecules for which the CCH-bearing species is more abundant than the CN-bearing one. We discuss the formation of these molecules in terms of neutral-neutral reactions of S atoms with CH2CCH and CH2CN radicals as well as of CCH and CN radicals with H2CS. The calculated abundances for the sulphur-bearing species are, however, significantly below the observed values, which points to an underestimation of the abundance of atomic sulphur in the model or to missing formation reactions, such as ion-neutral reactions.

8.
Astron Astrophys ; 6502021 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-34334798

RESUMO

We report the first detection in space of the cumulene carbon chain l-H2C5. A total of eleven rotational transitions, with Jup = 7-10 and Ka = 0 and 1, were detected in TMC-1 in the 31.0-50.4 GHz range using the Yebes 40m radio telescope. We derive a column density of (1.8±0.5)×1010 cm-2. In addition, we report observations of other cumulene carbenes detected previously in TMC-1, to compare their abundances with the newly detected cumulene carbene chain. We find that l-H2C5 is ~4.0 times less abundant than the larger cumulene carbene l-H2C6, while it is ~300 and ~500 times less abundant than the shorter chains l-H2C3 and l-H2C4. We discuss the most likely gas-phase chemical routes to these cumulenes in TMC-1 and stress that chemical kinetics studies able to distinguish between different isomers are needed to shed light on the chemistry of C n H2 isomers with n > 3.

9.
Astron Astrophys ; 6502021 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-34321677

RESUMO

We report the first detection in space of the single deuterated isotopologue of methylcyanoacetylene, CH2DC3N. A total of fifteen rotational transitions, with J = 8-12 and Ka = 0 and 1, were identified for this species in TMC-1 in the 31.0-50.4 GHz range using the Yebes 40m radio telescope. The observed frequencies were used to derive for the first time the spectroscopic parameters of this deuterated isotopologue. We derive a column density of (8.0 ± 0.4) × 1010 cm-2. The abundance ratio between CH3C3N and CH2DC3N is ∼22. We also theoretically computed the principal spectroscopic constants of 13C isotopologues of CH3C3N and CH3C4H and those of the deuterated isotopologues of CH3C4H for which we could expect a similar degree of deuteration enhancement. However, we have not detected either CH2DC4H nor CH3C4D nor any 13C isotopologue. The different observed deuterium ratios in TMC-1 are reasonably accounted for by a gas phase chemical model where the low temperature conditions favor deuteron transfer through reactions with H2D+.

10.
Astron Astrophys ; 6492021 May.
Artigo em Inglês | MEDLINE | ID: mdl-34257463

RESUMO

We report the detection for the first time in space of three new pure hydrocarbon cycles in TMC-1: c-C3HCCH (ethynyl cyclopropenylidene), c-C5H6 (cyclopentadiene) and c-C9H8 (indene). We derive a column density of 3.1 × 1011 cm-2 for the former cycle and similar values, in the range (1-2) × 1013 cm-2, for the two latter molecules. This means that cyclopentadiene and indene, in spite of their large size, are exceptionally abundant, only a factor of five less abundant than the ubiquitous cyclic hydrocarbon c-C3H2. The high abundance found for these two hydrocarbon cycles, together with the high abundance previously found for the propargyl radical (CH2CCH) and other hydrocarbons like vinyl and allenyl acetylene (Agúndez et al. 2021; Cernicharo et al. 2021a,b), start to allow us to quantify the abundant content of hydrocarbon rings in cold dark clouds and to identify the intermediate species that are probably behind the in situ bottom-up synthesis of aromatic cycles in these environments. While c-C3HCCH is most likely formed through the reaction between the radical CCH and c-C3H2, the high observed abundances of cyclopentadiene and indene are difficult to explain through currently proposed chemical mechanisms. Further studies are needed to identify how are five- and six-membered rings formed under the cold conditions of clouds like TMC-1.

11.
Astron Astrophys ; 6472021 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-33850332

RESUMO

We present the discovery in TMC-1 of allenyl acetylene, H2CCCHCCH, through the observation of nineteen lines with a signal-to-noise ratio ~4-15. For this species, we derived a rotational temperature of 7±1K and a column density of 1.2±0.2×1013 cm-2. The other well known isomer of this molecule, methyl diacetylene (CH3C4H), has also been observed and we derived a similar rotational temperature, Tr=7.0±0.3 K, and a column density for its two states (A and E) of 6.5±0.3×1012 cm-2. Hence, allenyl acetylene and methyl diacetylene have a similar abundance. Remarkably, their abundances are close to that of vinyl acetylene (CH2CHCCH). We also searched for the other isomer of C5H4, HCCCH2CCH (1.4-Pentadiyne), but only a3σ upper limit of 2.5×1012 cm-2 to the column density can be established. These results have been compared to state-of-the-art chemical models for TMC-1, indicating the important role of these hydrocarbons in its chemistry. The rotational parameters of allenyl acetylene have been improved by fitting the existing laboratory data together with the frequencies of the transitions observed in TMC-1.

12.
Astron Astrophys ; 6472021 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-33850331

RESUMO

We present the first identification in interstellar space of the propargyl radical (CH2CCH). This species was observed in the cold dark cloud TMC-1 using the Yebes 40m telescope. The six strongest hyperfine components of the 20,2-10,1 rotational transition, lying at 37.46 GHz, were detected with signal-to-noise ratios in the range 4.6-12.3 σ. We derive a column density of 8.7 × 1013 cm-2 for CH2CCH, which translates to a fractional abundance relative to H2 of 8.7 × 10-9. This radical has a similar abundance to methyl acetylene, with an abundance ratio CH2CCH/CH3CCH close to one. The propargyl radical is thus one of the most abundant radicals detected in TMC-1, and it is probably the most abundant organic radical with a certain chemical complexity ever found in a cold dark cloud. We constructed a gas-phase chemical model and find calculated abundances that agree with, or fall two orders of magnitude below, the observed value depending on the poorly constrained low-temperature reactivity of CH2CCH with neutral atoms. According to the chemical model, the propargyl radical is essentially formed by the C + C2H4 reaction and by the dissociative recombination of C3Hn + ions with n = 4-6. The propargyl radical is believed to control the synthesis of the first aromatic ring in combustion processes, and it probably plays a key role in the synthesis of large organic molecules and cyclization processes to benzene in cold dark clouds.

13.
Astron Astrophys ; 6482021 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-33850333

RESUMO

We report the detection of the sulfur-bearing species NCS, HCCS, H2CCS, H2CCCS, and C4S for the first time in space. These molecules were found towards TMC-1 through the observation of several lines for each species. We also report the detection of C5S for the first time in a cold cloud through the observation of five lines in the 31-50 GHz range. The derived column densities are N(NCS) = (7.8±0.6)×1011 cm-2, N(HCCS) = (6.8±0.6)×1011 cm-2, N(H2CCS) = (7.8±0.8)×1011 cm-2, N(H2CCCS) = (3.7±0.4)×1011 cm-2, N(C4S) = (3.8±0.4)×1010 cm-2, and N(C5S) = (5.0±1.0)×1010 cm-2. The observed abundance ratio between C3S and C4S is 340, that is to say a factor of approximately one hundred larger than the corresponding value for CCS and C3S. The observational results are compared with a state-of-the-art chemical model, which is only partially successful in reproducing the observed abundances. These detections underline the need to improve chemical networks dealing with S-bearing species.

14.
Astron Astrophys ; 6462021 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-33828331

RESUMO

Using the Yebes 40m and IRAM 30m radiotelescopes, we detected two series of harmonically related lines in space that can be fitted to a symmetric rotor. The lines have been seen towards the cold dense cores TMC-1, L483, L1527, and L1544. High level of theory ab initio calculations indicate that the best possible candidate is the acetyl cation, CH3CO+, which is the most stable product resulting from the protonation of ketene. We have produced this species in the laboratory and observed its rotational transitions Ju = 10 up to Ju = 27. Hence, we report the discovery of CH3CO+ in space based on our observations, theoretical calculations, and laboratory experiments. The derived rotational and distortion constants allow us to predict the spectrum of CH3CO+ with high accuracy up to 500 GHz. We derive an abundance ratio N(H2CCO)/N(CH3CO+)~44. The high abundance of the protonated form of H2CCO is due to the high proton affinity of the neutral species. The other isomer, H2CCOH+, is found to be 178.9 kJ mol-1 above CH3CO+. The observed intensity ratio between the K=0 and K=1 lines, ~2.2, strongly suggests that the A and E symmetry states have suffered interconversion processes due to collisions with H and/or H2, or during their formation through the reaction of H 3 + with H2CCO.

15.
Astron Astrophys ; 6452021 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-33833467

RESUMO

CONTEXT: At least a dozen molecules with a formyl group (HCO) have been observed to date in the interstellar medium (ISM), suggesting that other such species exist and remain to be discovered. However, there is still a lack of high-resolution spectroscopic data for simple molecular species of this type that could provide a basis for their detection. AIMS: Cyclopropanecarboxaldehyde, c-C3H5CHO, is a small molecule containing a formyl group and is therefore an interesting candidate for astrophysical detection. The rotational spectrum of cyclopropanecarboxaldehyde has been observed before, but its experimental rotational parameters are not precise enough to allow its detection in the millimetre-wave domain. METHODS: We measured the rotational spectrum of cyclopropanecarboxaldehyde in the frequency ranges 31.5-50 GHz and 72-116.5 GHz using the GACELA (GAS CEll for Laboratory Astrophysics) broadband high-resolution rotational spectrometer constructed at the Yebes Observatory. The spectroscopic study was supported by high-level theoretical calculations which were used in the identification of the vibrational excited states of cyclopropanecarboxaldehyde. RESULTS: Our analysis of the rotational spectrum of cyclopropanecarboxaldehyde allowed us to obtain accurate rotational parameters for the ground state of both cis and trans isomers, which were used to derive sufficiently reliable predictions up to 300 GHz. In addition to the ground states, we identified 12 and 6 vibrationally excited states for the trans and cis isomers, respectively, including fundamental modes, multiple excitation quanta, and combination states. We find that the gas phase concentration of the trans isomer is almost 1.2 times larger than that of the cis one. These new experimental rotational parameters were employed to search for cyclopropanecarboxaldehyde in the warm molecular clouds Orion KL and Sgr B2(N) using the spectral surveys captured by ALMA (Orion) and IRAM 30 m (Sgr) at 1 mm and 3 mm, respectively.

16.
Astron Astrophys ; 6472021 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-33833468

RESUMO

We present the discovery in TMC-1 of vinyl acetylene, CH2CHCCH, and the detection, for the first time in a cold dark cloud, of HCCN, HC4N, and CH3CH2CN. A tentative detection of CH3CH2CCH is also reported. The column density of vinyl acetylene is (1.2±0.2)×1013 cm-2, which makes it one of the most abundant closed-shell hydrocarbons detected in TMC-1. Its abundance is only three times lower than that of propylene, CH3CHCH2. The column densities derived for HCCN and HC4N are (4.4±0.4)×1011 cm-2 and (3.7±0.4)×1011 cm-2, respectively. Hence, the HCCN/HC4N abundance ratio is 1.2±0.3. For ethyl cyanide we derive a column density of (1.1 ±0.3)×1011 cm-2. These results are compared with a state-of-the-art chemical model of TMC-1, which is able to account for the observed abundances of these molecules through gas-phase chemical routes.

17.
Astron Astrophys ; 6462021 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-33824540

RESUMO

We report the detection in TMC-1 of the protonated form of C3S. The discovery of the cation HC3S+ was carried through the observation of four harmonically related lines in the Q band using the Yebes 40m radiotelescope, and is supported by accurate ab initio calculations and laboratory measurements of its rotational spectrum. We derive a column density N(HC3S+) = (2.0 ± 0.5) × 1011 cm-2, which translates to an abundance ratio C3S/HC3S+ of 65 ± 20. This ratio is comparable to the CS/HCS+ ratio (35 ± 8) and is a factor of about ten larger than the C3O/HC3O+ ratio previously found in the same source. However, the abundance ratio HC3O+/HC3S+ is 1.0 ± 0.5, while C3O/C3S is just ~ 0.11. We also searched for protonated C2S in TMC-1, based on ab initio calculations of its spectroscopic parameters, and derive a 3σ upper limit of N(HC2S+)≤ 9×1011 cm-2 and a C2S/HC2S+ ≥ 60. The observational results are compared with a state-of-the-art gas-phase chemical model and conclude that HC3S+ is mostly formed through several pathways: proton transfer to C3S, reaction of S+ with c-C3H2, and reaction between neutral atomic sulfur and the ion C3H+ 3.

18.
Astron Astrophys ; 6422020 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-33239824

RESUMO

We present a study of the isocyano isomers of the cyanopolyynes HC3N, HC5N, and HC7N in TMC-1 and IRC+10216 carried out with the Yebes 40m radio telescope. This study has enabled us to report the detection, for the first time in space, of HCCCCNC in TMC-1 and to give upper limits for HC6NC in the same source. In addition, the deuterated isotopologues of HCCNC and HNCCC were detected, along with all 13C substitutions of HCCNC, also for the first time in space. The abundance ratios of HC3N and HC5N, with their isomers, are very different in TMC-1 and IRC+10216, namely, N(HC5N)/N(HC4NC) is ~300 and ≥2100, respectively. We discuss the chemistry of the metastable isomers of cyanopolyynes in terms of the most likely formation pathways and by comparing observational abundance ratios between different sources.

19.
Astron Astrophys ; 6422020 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-33239825

RESUMO

Using the Yebes 40m and IRAM 30m radio telescopes, we detected a series of harmonically related lines with a rotational constant B 0=4460.590±0.001 MHz and a distortion constant D 0=0.511 ±0.005 kHz towards the cold dense core TMC-1. High-level-of-theory ab initio calculations indicate that the best possible candidate is protonated tricarbon monoxide, HC3O+. We have succeeded in producing this species in the laboratory and observed its J u -J l = 2-1 and 3-2 rotational transitions. Hence, we report the discovery of HC3O+ in space based on our observations, theoretical calculations, and laboratory experiments. We derive an abundance ratio N(C3O)/N(HC3O+)~7. The high abundance of the protonated form of C3O is due to the high proton affinity of the neutral species. The chemistry of O-bearing species is modelled, and predictions are compared to the derived abundances from our data for the most prominent O-bearing species in TMC-1.

20.
Astron Astrophys ; 6432020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-33239826

RESUMO

Using the Yebes 40m radio telescope, we report the detection of a series of seven lines harmonically related with a rotational constant B 0=1295.81581 ± 0.00026 MHz and a distortion constant D 0 = 27.3 ± 0.5 Hz towards the cold dense cloud TMC-1. Ab initio calculations indicate that the best possible candidates are the cations HC5NH+ and NC4NH+. From a comparison between calculated and observed rotational constants and other arguments based on proton affinities and dipole moments, we conclude that the best candidate for a carrier of the observed lines is the protonated cyanodiacetylene cation, HC5NH+. The HC5N/HC5NH+ ratio derived in TMC-1 is 240, which is very similar to the HC3N/HC3NH+ ratio. Results are discussed in the framework of a chemical model for protonated molecules in cold dense clouds.

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