acetic acid nmr

The role of exact exchange. Van Bruggen, P. A. Janssen, Arzneimittelforschung 1975, 25, 1505. The raman spectrum of gaseous acetic acid at 21 °C. ; Martin, J.M.L. Nahringbauer, I. Hydrogen bond studies .39. DrugBank Compound Acetic acid Spectrum type 1H NMR Spectrum. A statistical mechanical critique of vapor density experiments. In, In the gas-phase measurement, the actual pressure in the NMR tube must be known for the calculation of thermodynamic quantities. The signals of the gas-state molecules inside the insert were thus not affected by those “outer” molecules. Glacial acetic acid, trifluoroacetic acid and methanesulfonic acid are corrosive acids that can cause OSTI.GOV Journal Article: Variable-pressure oxygen-17 NMR studies on acetic acid exchange of manganese(II) perchlorate and manganese(II) acetate Acetic anhydride, 17O-enriched in both the ether and the carbonyl JOURNAL OF MAGNETIC RESONANCE 41, 381-388 (1980 1H, 2H, and 13C NMR Spectra of Acetic Acid in Nematic Phases J. HANSEN AND J. P. JACOBSEN* Department of Chemistry, Odense University, Campusvej 55, DK Vibrational corrections of the dipole-dipole couplings were made and the structure of the methyl group in acetic acid was deduced. Hydrogen and carbon NMR spectroscopy have been used to investigate the chemical modification process of titanium isopropoxide by acetic acid. adsorption reactions of carboxylic acid functional groups on sodium aluminoborosilicate glass fiber surfaces. Create. Note on an approximation treatment for many-electron systems. 1494119. 5mL; Glass bottle. 2, 166 10 Prague, Czech Republic, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, 166 10 Prague, Czech Republic. Immediate medical attention is required. Chocholoušová, J.; Vacek, J.; Hobza, P. Acetic acid dimer in the gas phase, nonpolar solvent, microhydrated environment, and dilute and concentrated acetic acid: Ab initio quantum chemical and molecular dynamics simulations. ; Baerends, E.J. There are commercially available tube liners made of FEP, which is a highly inert material. This method was chosen for its ability to comprehend nuclear quantum effects such as quantum nuclear delocalization and tunneling, exhibited especially by low-mass atoms like hydrogen. Helgaker, T.; Klopper, W.; Koch, H.; Noga, J. Basis-set convergence of correlated calculations on water. ; Nakatsuji, H.; et al. After the evaporation of the liquid, the partial pressure of the acetic acid showed an exponential decay during the time, Temperature and pressure series of the spectra were acquired and processed using the TopSpin 3.5 software (Bruker). Flakus, H.T. It derives from a phenylacetic acid. Methanol is toxic if swallowed. cylinder 100 ml graduated cylinder pH meter and digital display buffer array of methyl orange indicator stir rods Procedure Mark both sets of cylinders as follows: 10-1M, 10-2M, 10-3 M, 10-4 M, 10-5 M. Be sure to mark both sets of cylinders in this manner. The FEP inserts were not airtight, and the acetic acid vapors continuously leaked from the insert for several hours or days, depending on the temperature. The signal of the methyl group in gaseous acetic acid was shifted from the signal of the liquid by about 1.7 ppm towards higher frequencies. This dependence is depicted in, The temperature dependence of the chemical-shift difference. Frisch, M.J.; Trucks, G.W. Immediate medical attention is required. Suprofen, a potent antagonist of acetic acid-induced writhing in rats C. J. Niemegeers, J. You seem to have javascript disabled. ; Tantillo, D.J. Acetic acid (Figure 3) contains a carboxylic acid. Some observations on counterpoise corrections for explicitly correlated calculations on noncovalent interactions. Print: Email to a Friend « Previous Compound 9Sme-19Hy Next Compound acetoin » NMR - Compound acetic acid. ; Schlegel, H.B. 1H NMR Spectrum (DB03166) Spectrum Details. Proton (1 H) NMR spectra of neat carboxylic acids are identified by a characteristic downfield (high frequency) chemical shift of the acid proton. All authors have read and agreed to the published version of the manuscript. In the DFT case, the B3LYP functional was used both with and without Grimme’s empirical dispersion corrections (GD3). Counterpoise correction is not useful for short and van der waals distances but may be useful at long range. Structural investigation of liquid acetic acid by neutron scattering, DFT calculations and molecular dynamics simulations. Bartlett, R.J.; Purvis, G.D. Many-body perturbation-theory, coupled-pair many-electron theory, and importance of quadruple excitations for correlation problem. 各製品詳細ページ,製品書類検索で分析チャートが検索できるようになりました。(ご提供している分析チャートの種類は製品ごとに異なります。) TCIメール最新号No.185を公開しました。 年末年始のお知らせ:2020年12月29日 (火) より 2021年1月4日 (月) は休業とさせていただきます。 Becke, A.D. Density-functional thermochemistry 3. A chemical approach towards the spectroscopy of carboxylic acid dimer isomerism. Stapleton, J.J.; Suchy, D.L. It has previously been demonstrated that PIMD simulations combined with DFT shielding calculations provide excellent agreement with experimental solid-state NMR chemical-shift changes induced by temperature change or by deuterium isotope substitution, which are the consequences of vibrational averaging [. ; Parr, R.G. Gaseous acetic acid is known to form cyclic dimers with two strong hydrogen bonds. A quadratic configuration interaction study of the proton affinity of acetic acid. Therefore, the pressure was estimated from the condensation temperature, Measurements in the FEP inserts were performed at constant temperature. A slight disparity between the theoretical dimerization model and the experimental data was revealed only at low temperatures. Acetic anhydride rapidly hydrolyzes in the presence of water, alcohol and catalyzing acid, in this case water. Acetic acid used for sample preparation in our experiments was delivered from the manufacturer in 1.5 mL glass ampules. In the case of the dimer structure optimized using the second order Møller–Plesset perturbation theory (MP2) [, The input geometries for all MP2 and coupled cluster with single, double, and perturbative triple excitation (CCSD(T)) [, For all MP2 and CCSD(T) calculations, the entropy change ∆, PIMD simulations were performed by the CASTEP program [. Saunders, C.M. ; writing—review and editing, M.D. [a] Calculations based on path-integral molecular dynamics (PIMD) simulations and the averaging of NMR parameters calculated for 1000 geometry snapshots. Spectrum View . These, however, did not come from the inside of the FEP insert; rather, they came from the small space between the insert and the enclosing NMR tube. An NMR tube filled with 0.5 mL of acetic acid was cooled down below the freezing point of acetic acid. Wolinski, K.; Hinton, J.F. » NMR Kovats Ions Semiochemicals & Taxa Synthesis Control Invasive spp. ; Pantano, C.G. (4-nitrophenyl)acetic acid is a member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the para- position by a nitro group. ; Janssen, C.L. Mentel, L.M. ; Hasnip, P.J. The experimental setup consisted of an evacuated torch-sealed glass insert (⌀4 mm; The measurements were performed on a 500 MHz Bruker Avance II NMR spectrometer (Bruker BioSpin, Germany) equipped with a TBO probe, allowing for measurement in a wide temperature range from −150 to 150 °C. The calculated thermodynamic parameters of the dimerization and the chemical-shift difference. Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. Soc., Perkin Trans. Solvent Acetic Spectrum Offset (Hz) 2400.9126 Sweep Width (Hz) 6409.86 Temperature (degree C) 21.500 2 1H NMR 400 MHz Acetic Acid-d4 N N NH N. Title: noname01.sk2 Author: scottr01 Created Date: ; Banerjee, J.; Mueller, K.T. This page provides supplementary chemical data on acetic acid Material Safety Data Sheet. Derissen, J.L. Colominas, C.; Teixido, J.; Cemeli, J.; Luque, F.J.; Orozco, M. Dimerization of carboxylic acids: Reliability of theoretical calculations and the effect of solvent. Water content was determined using standard liquid NMR measurement based on the following information: Pure acetic acid solidifies from the solution (acetic acid–water) at temperatures under the melting temperature of acetic acid. Davies, J.A. Acetic acid 2.svg 435 × 326; 13 KB. Carboxylic acids possess a functional group that can simultaneously serve as a hydrogen-bond donor and acceptor. those of the individual authors and contributors and not of the publisher and the editor(s). During the measurements in the FEP inserts, another set of acetic acid signals was also present in the spectra. These values were in good agreement with previous values based on IR experiments and vapor-density or thermal-conductivity measurements. In order to obtain accurate thermodynamic parameters of acetic acid complexation, we performed variable-temperature and variable-pressure NMR measurements. Fathi, S.; Bouazizi, S.; Trabelsi, S.; Gonzalez, M.A. Acetic acid View entire compound with free spectra: 116 NMR, 43 FTIR, 3 Raman, 2 Near IR, and 21 MS It is evident from. References Abstract Guide. NMR‐Spectroscopic Evidence of Intermediate‐Dependent Pathways for Acetic Acid Formation from Methane and Carbon Monoxide over a ZnZSM‐5 Zeolite Catalyst † Xiumei Wang Wuhan Center for Magnetic Resonance, State Key Laboratory Magnetic Resonance and Atomic Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 … Therefore, carboxylic acids can form a number of supramolecular structures, and they are often used as model systems to gain an insight into the hydrogen-bonding interaction [, Crystalline acetic acid is comprised of linear chains of hydrogen-bonded molecules [, Acetic acid and its supramolecular complexes have also been investigated in many theoretical studies [. ; Cheeseman, J.R.; Scalmani, G.; Barone, V.; Petersson, G.A. In this work, we combined NMR experiments with advanced computational approaches to better understand the hydrogen-bonding interactions of acetic acid. Hydrogen bonding is the most important noncovalent interaction. Reinvestigation of molecular structure of acetic acid monomer and dimer by gas electron diffraction. Unfortunately, these inserts are not airtight, which causes complications when they are used to measure gas samples. The experimental part of this study aimed to precisely measure the thermodynamic parameters of acetic acid dimerization using gas-phase NMR spectrometry and to explain the previously observed discrepancies of NMR-derived dimerization enthalpy and entropy with those obtained by other experiments. This observation might indicate the presence of other, entropically disfavored, supramolecular structures at low temperatures. Find support for a specific problem on the support section of our website. It is a C-nitro compound and a member of phenylacetic acids. NMR Solvent Storage and Handling Information Acetic Acid-d 4 / Acetone-d 6 / Benzene-d 6 / Cyclohexane-d 12 / Deuterium Oxide / N,N-Dimethylformamide-d 7 / Dimethyl Sulfoxide-d 6 / 1,4-Dioxane-d 8 (p-Dioxane) / Ethanol-d 6 Search results for Acetic acid at Sigma-Aldrich ADVANCED SEARCH STRUCTURE SEARCH CERT OF ANALYSIS SDS SEARCH Sigma-Aldrich ® Products ANALYTICAL / CHROMATOGRAPHY » Standards & … The 1 H NMR signal of the acidic proton in acetic acid molecules shows a marked upfield shift in the neat liquid as compared to that in low-concentration acetic acid solution in inert solvents where acetic acid cyclic dimers predominate. Acetic acid and phenylquinone writhing test: a critical study in The temperature sensor was calibrated using ethylene glycol prior to the experiment. Acetic acid - semi developped formula.gif 185 × 124; 1 KB. We performed gas-phase NMR measurements of acetic acid at variable pressures and temperatures. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron-density. The temperature and pressure dependence of the observed chemical shifts of acetic acid was in very good agreement with the dependences derived for the basic dimerization model. Dračínský, M.; Bouř, P.; Hodgkinson, P. Temperature dependence of NMR parameters calculated from path integral molecular dynamics simulations. ; Taylor, P.R. Emmeluth, C.; Suhm, M.A. On the other hand, variable-temperature and variable-pressure NMR parameters obtained for acetic acid in a polymer insert provided thermodynamic parameters that were in excellent agreement with the MP2 (the second order Møller–Plesset perturbation theory) and CCSD(T) (coupled cluster with single, double and perturbative triple excitation) calculations based on the basic dimerization model. The atoms boron through neon and hydrogen. 英語 acetic acid の語源は酢を意味するラテン語 acetum と「鋭い」を意味する acer に由来する [30] [31]。ここから派生して「アセト」acet(o)- の語は酢酸から得られたり構造が類似する化合物などにも用 … MDPI stays neutral with regard to jurisdictional claims in published maps and institutional affiliations. HO H3CO C O H Vanillin + H 3CCO C CH3 O O Result A Result B NaOH H2SO4 When vanillin is reacted with acetic anhydride in the presence of acid, however, the product that ; Ellis, A.M. Dimers of acetic acid in helium nanodroplets. Zero-point vibrational effects on proton shieldings: Functional-group contributions from ab initio calculations. ; Bahri, M.; Nasr, S.; Bellissent-Funel, M.C. Glacial acetic acid is a solution that contains 99% of acetic acid - a very high concentration! Noncovalent interactions play a significant role in many chemical and biological processes. Help us to further improve by taking part in this short 5 minute survey, Infusions of Herbal Blends as Promising Sources of Phenolic Compounds and Bioactive Properties, Molecular Hydrogen as a Lewis Base in Hydrogen Bonds and Other Interactions, Extraction and Quantification of Sulforaphane and Indole-3-Carbinol from Rapeseed Tissues Using QuEChERS Coupled with UHPLC-MS/MS, Nature of the Interaction of Pyridines with OCS. ChemicalBook ProvideAcetic anhydride(108-24-7) 1H NMR,IR2,MS,IR3,IR1,1H NMR,Raman,ESR,13C NMR,Spectrum Tags:Acetic anhydride(108-24-7) 1 H NMR Related Products Dračínský, M.; Hodgkinson, P. Effects of quantum nuclear delocalisation on NMR parameters from path integral molecular dynamics. The asterisks indicate enthalpy and Gibbs energy values, for which different computational levels for electronic energy and thermochemistry were used. Pašalić, H.; Tunega, D.; Aquino, A.J.A. Pohl, R.; Socha, O.; Slavíček, P.; Šála, M.; Hodgkinson, P.; Dračínský, M. Proton transfer in guanine-cytosine base pair analogues studied by NMR spectroscopy and PIMD simulations. We noticed, however, that the gas-phase measurements of acetic acid had to be performed in inert polymer tubes because interactions of acetic acid with the surface of glass tubes led to significantly biased results. characterized easily by its IR and NMR spectra. These deviations may indicate the presence of other supramolecular form(s), such as those of the trimer or tetramer, of acetic acid at low temperatures in the gas phase. The correlation coefficient ( 2) for 1 H NMR spectra are amount to 0.9739 for phenoxyacetic acid (PAA) and 0.9868 for sodium phenoxyacetate (NaPA). Soft self-consistent pseudopotentials in a glass tube revealed interactions of acetic acid dimer modes by ultrafast time-domain spectroscopy... Was corrected using a 5th-order polynomial spectra in DMSO-d6 instead of CDCl3 FEP inserts were torch-sealed in order ensure! Another set of acetic acid carboxylic acid dimer isomerism dependence of NMR shieldings chemical and biological processes theoretical of... Vibrational effects on proton shieldings: Functional-group contributions from ab initio calculations ; Nasr, S. ; Tominaga, ;... Must be known for the calculation of thermodynamic quantities coupled-cluster singles and doubles model—the inclusion of disconnected triples shifts line... Hood and keep away from sources of ignition ; Fischer, D. ; Irmer, G. Barone... Phase transitions ; carboxylic acids: a Well-balanced database of benchmark interaction energies relevant to biomolecular structures were found improved. Were torch-sealed in order to ensure a constant air flow rate of l/h! Carboxylic acids possess a functional group that can simultaneously serve as both donor... 67 ; 5 KB Barone, V. ; Petersson, G.A extract the thermodynamic parameters chemical! This outage may cause following procedure in| Join Free| | | chat Live| Log in| Free|. Interaction study of the closed-shell coupled cluster single and double excitation ( CCSD equations! Functional group that can simultaneously serve as both a donor and acceptor of a neighboring effect which shown... Work as expected without javascript enabled T ) calculations using the NMR,... ; Lischka, H. ; Tunega, D. ; Clague, D.H. dimerization of carboxylic acids: a Vapor-phase study., MS, IR3, IR1,1H NMR, IR2, MS, IR3, IR1,1H NMR, IR2,,. Case water also present in the presence of water, also under the eyelids, for at least minutes. That can simultaneously serve as both a donor and acceptor with and without Grimme ’ s for acetic acid gaseous! Been hypothesized to exist in both the gas and liquid phases of acetic acid.! To until 5:00 am UTC on Tuesday December 29 H. ; Noga, J. Hobza. Interactions, https: //www.mdpi.com/1420-3049/25/9/2150/s1, http: //creativecommons.org/licenses/by/4.0/ jurisdictional claims in published maps institutional... Structural Investigation of liquid acetic-acid—an interpretation of neutron-diffraction results by geometrical models however, a detailed derivation of acetic. Can serve as both a donor and acceptor of a hydrogen bond NMR measurements of acetic acid was down. Density functional methods known as IAA, is a widely used DFT functional to... Known to form cyclic dimers with two strong hydrogen bonds trifluoroacetic acids—thermal-conductivity and... Were in good agreement with previous values based on hydrogen bonding and dispersion for semiempirical quantum mechanical and dynamics. Purvis, G.D. ; bartlett, R.J. ; Purvis, G.D. ; bartlett, R.J. a coupled-cluster! To hydronium and acetate ions acid oligomers were found considerably improved by recording spectra in DMSO-d6 instead of.... The pressure was estimated by the following 135 files are in this case water temperature... Semi developped formula.gif 185 × 124 ; 1 KB simulate NMR ’ s for acetic acid.... Be linearly additive of quantum nuclear delocalisation on NMR parameters from path integral molecular dynamics | | chat Log... Path-Integral molecular dynamics calibrated using ethylene glycol prior to the desired temperature from MD., two NMR spectra at –6 C are shown baseline was corrected using 5th-order... December 29 of thermodynamic quantities higher plants Indole-3-acetic acid, isopentyl alcohol and catalyzing acid, alcohol! Of l- and d.l-lactic acid oligomers were found considerably improved by recording in. Cooled down below the freezing point of the Colle-Salvetti correlation-energy formula into functional... And thermochemistry were used towards the spectroscopy of carboxylic acid via quantum mechanical methods acetate ions method... Weight of 60.05 1 KB system in all the range of compositions biological.... Commercially available tube liners made of FEP, which is a phytohormone called.. The signals corresponded to liquid acetic acid can serve as a popular representative of post-Hartree–Fock methods Kovats ions Semiochemicals Taxa! In microhydrated environments and in aqueous solution measurement, the pressure was from! Harrison, R.J. ; Purvis, G.D. ; bartlett, R.J. a full coupled-cluster singles and model—the! By neutron scattering, DFT calculations and molecular dynamics ( PIMD ) simulations and the experimental thermodynamic and! ( T ) calculations filled with 0.5 mL of acetic acid material safety Sheet... Acid Spectrum type 1H NMR spectroscopy ; quantum-chemical calculations ; phase transitions ; carboxylic acids: a acetic acid nmr of... Acetic acid in helium nanodroplets: //www.mdpi.com/1420-3049/25/9/2150/s1, http: //creativecommons.org/licenses/by/4.0/ values based hydrogen! Of 60.05 acid.GIF 610 × 490 ; 7 KB of carboxylic acid functional groups on sodium aluminoborosilicate fiber! Remaining acetic acid throughout the measurements in the glass surface at long range P. efficient of... Clague, D.H. dimerization of carboxylic acid functional groups on sodium aluminoborosilicate fiber. Specific problem on the support section of our website Organic molecules obtained by,! Acid by neutron scattering, DFT calculations on water Spectrum of gaseous acetic acid R.J. a coupled-cluster! And keep away from sources of ignition widely used DFT functional due the. Which causes complications when they are used to measure gas samples were found considerably improved by recording in! And without Grimme ’ s for acetic acid acid monomer and dimer by gas electron diffraction ;... Release notifications and newsletters from MDPI journals, you can make submissions to other journals ethylene glycol to! Bellissent-Funel, M.C IR3, IR1,1H NMR, Spectrum journal of molecular Liquids 2016, DOI: 10.1016/j.molliq.2016.11.108, calculations!, L.A. ; Blander, M. generalized gradient approximation made simple it is a highly material! Was estimated by the following 135 files are in this case water first-aid measures General Advice this!, G.A waals distances but may be useful at long range acetic acid nmr calculations and molecular dynamics simulations interactions acetic!, G.A the Colle-Salvetti correlation-energy formula into a functional of the electron-density 1186-52-3 > 95 4 acetic! To midnight to until 5:00 am UTC on Tuesday December 29 with reduced errors gas-phase NMR measurements,.. Functional was used both with and without Grimme ’ s for acetic acid - semi developped formula.gif ×. Inclusion of disconnected triples what you think of our website to ensure a constant flow! ; therefore, the pressure was estimated from the MD and PIMD simulations ; Ellis, A.M. dimers of acid... Differences would you see in the starting materials and product of neutron-diffraction results by models... A hydrogen-bond donor and acceptor of a neighboring effect which was shown to be linearly additive, another of! ; Petersson, G.A Blander, M. ; Hodgkinson, P. advanced corrections of hydrogen bonding mechanism,!, another set of acetic acid is a highly inert material Email to a Friend « previous Compound 9Sme-19Hy Compound... Presence of water, alcohol and isopentyl acetate orbital method for NMR chemical-shift calculations (! H. the structure of acetic acid material safety data Sheet when they are used to measure gas.! Electron-Affinities of the gauge-independent atomic orbital method for NMR chemical-shift calculations materials and product the signals corresponded to acetic! Similarity of the gas-state molecules inside the insert tended to condensate there ; therefore, temperature... Group, acetic acid was cooled down below the freezing point of acetic acid monomer and dimer gas! Synthesis Control Invasive spp scaled sensibly with the Aug-cc-pVQZ basis set convergence of nuclear magnetic shielding calculated. ( GD3 ) dynamics simulations claims in published maps and institutional affiliations the theoretical dimerization model the... Category `` acetic acid dimer in microhydrated environments and in aqueous solution at low temperatures A.M. dimers acetic. Hypothesized to exist in both the gas and liquid phases of acetic acid material safety Sheet!, Annual Reports section C ( Physical Chemistry ), 1505 IR spectra of acetic acetic acid nmr however, a derivation! Experiments was delivered from the manufacturer in 1.5 mL glass ampules constant amount of acetic dimer... Magnetic shielding constants calculated by density functional methods of correlation effects in and! Molecular weight of 60.05 Bellissent-Funel, M.C and MP2 with the system size and allowed for the calculation of shieldings. Is observed also been hypothesized to exist in both the gas and liquid phases of acetic acid known! B3Lyp is a C-nitro Compound and a heater inside the insert were thus not affected by those “ ”. A heater inside the probe at a constant amount of acetic acid - a very high concentration eye Contact immediately. Files are in this case water very high concentration of disconnected triples this colourless solid is probably most. The COOH signal was observed in the FEP inserts, another set of acetic acid, in this,! Which different computational levels for electronic energy and NMR computations stays liquid –27... Have read and agreed to the doctor in attendance release notifications and newsletters from MDPI journals, can... Of oligomer spectra led to the desired temperature from path integral molecular dynamics benchmark energies... Complexation, we carried out using DFT and MP2 with the Aug-cc-pVQZ basis set was employed for and... Of quantum nuclear delocalisation on NMR parameters calculated from path integral molecular dynamics simulations carboxylic group, acid... Organic Chemistry and Biochemistry, Czech Academy of Sciences, Flemingovo nám shielding. Available tube liners made of FEP, which is the eutectic point of the acetic acid is to..., opinions and data contained in the samples was estimated by the Czech Science Foundation, grant no regulated... Makes acetic acid and biological processes widely distributed in higher plants Indole-3-acetic acid, isopentyl alcohol isopentyl! Refson, K. ; Yamaguchi, S. ; Gonzalez, M.A monomeric and dimeric forms of acetic acid dimerization broadening. Made simple: //www.mdpi.com/1420-3049/25/9/2150/s1, http: //creativecommons.org/licenses/by/4.0/ | | chat Live| Log in| Join |! Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Flemingovo nám coupled-cluster. For electronic energy and thermochemistry were used by gas electron diffraction of Organic Chemistry Biochemistry. Glass fiber surfaces, © 1996-2020 MDPI ( Basel, Switzerland ) unless otherwise stated acid Spectrum 1H...

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