Tag: 100-200

A complex matrix characterization approach, applied to cigarette smoke, that integrates multiple analytical methods and compound identification strategies for non-targeted liquid chromatography with high-resolution mass spectrometry was written by Arndt, Daniel;Wachsmuth, Christian;Buchholz, Christoph;Bentley, Mark. And the article was included in Rapid Communications in Mass Spectrometry in 2020.Name: 1-Octyl-1H-imidazole This article mentions the following:

Rationale : For the characterization of the chem. composition of complex matrixes such as tobacco smoke, containing more than 6000 constituents, several anal. approaches have to be combined to increase compound coverage across the chem. space. Furthermore, the identification of unknown mols. requiring the implementation of addnl. confirmatory tools in the absence of reference standards, such as tandem mass spectrometry spectra comparisons and in silico prediction of mass spectra, is a major bottleneck. Methods : We applied a combination of four chromatog./ionization techniques (reversed-phase (RP) – heated electrospray ionization (HESI) in both pos. (+) and neg. (-) modes, RP – atm. pressure chem. ionization (APCI) in pos. mode, and hydrophilic interaction liquid chromatog. (HILIC) – HESI pos.) using a Thermo Q Exactive® liquid chromatog./high-resolution accurate mass spectrometry (LC/HRAM-MS) platform for the anal. of 3R4F-derived smoke. Compound identification was performed by using mass spectral libraries and in silico predicted fragments from multiple integrated databases. Results : A total of 331 compounds with semi-quant. estimates ≥100 ng per cigarette were identified, which were distributed within the known chem. space of tobacco smoke. The integration of multiple LC/HRAM-MS-based chromatog./ionization approaches combined with complementary compound identification strategies was key for maximizing the number of amenable compounds and for strengthening the level of identification confidence. A total of 50 novel compounds were identified as being present in tobacco smoke. In the absence of reference MS² spectra, in silico MS² spectra prediction gave a good indication for compound class and was used as an addnl. confirmatory tool for our integrated non-targeted screening (NTS) approach. Conclusions : This study presents a powerful chem. characterization approach that has been successfully applied for the identification of novel compounds in cigarette smoke. We believe that this innovative approach has general applicability and a huge potential benefit for the anal. of any complex matrixes. In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Name: 1-Octyl-1H-imidazole).

1-Octyl-1H-imidazole (cas: 21252-69-7) belongs to imidazole derivatives. Imidazole is the basic core of some natural products such as histidine, purine, histamine and DNA based structures, etc. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Name: 1-Octyl-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Industrial sludge valorization and decontamination via lipid extraction and heavy metals removal using low-cost protic ionic liquid was written by Abouelela, Aida Rafat;Mussa, Afnan A.;Talhami, Mohammed;Das, Probir;Hawari, Alaa H.. And the article was included in Science of the Total Environment in 2022.Application In Synthesis of 1-Methyl-1H-imidazol-3-ium chloride This article mentions the following:

Sludge is a heterogenous organic-rich matter that comprise of highly valuable biopolymers along with various contaminants including heavy metals. Sludge valorization as a renewable resource and inexpensive feedstock is key for sludge realization in circular economy context. This study presents the use of low-cost protic ionic liquid (PIL) as an integrated process medium to decontaminate heavy metal contaminated industrial sludge while selectively extract the lipid content. The treatment process focused on the use of 1-methylimidazole chloride for its higher heavy metal extraction performance compared to other screened ionic liquids (ILs). The treatment was also able to selectively extract lipids from industrial sludge, leaving a protein/carbohydrate rich solid product. Process temperature was shown to have a key impact on the biopolymers’ fractionation. Operating at temperatures above 120°C resulted in higher recovery of proteins in the lipid-rich fraction, compromising the quality of the lipid stream. Variation of the PIL acid/base (a/b) ratio also had a significant impact on the deconstruction of the sludge biopolymers, with a/b ratio of 1 resulting in highest recovery of all biopolymers. Optimal water concentration as co-solvent was found at 30 wt%, with lipid recovery reaching 60% and heavy metals extraction ranging between 29 and 89%. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Application In Synthesis of 1-Methyl-1H-imidazol-3-ium chloride).

1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Application In Synthesis of 1-Methyl-1H-imidazol-3-ium chloride

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Novel diamino imidazole and pyrrole-containing polyamides: Synthesis and DNA binding studies of mono- and diamino-phenyl-ImPy*Im polyamides designed to target 5′-ACGCGT-3′ was written by Satam, Vijay;Babu, Balaji;Chavda, Sameer;Savagian, Mia;Sjoholm, Robert;Tzou, Samuel;Ramos, Joseph;Liu, Yang;Kiakos, Konstantinos;Lin, Shicai;Wilson, W. David;Hartley, John A.;Lee, Moses. And the article was included in Bioorganic & Medicinal Chemistry in 2012.Recommanded Product: Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate This article mentions the following:

Pyrrole- and imidazole-containing polyamides are widely investigated as DNA sequence selective binding agents that have potential use as gene control agents. The key challenges that must be overcome to realize this goal is the development of polyamides with low molar mass so the mols. can readily diffuse into cells and concentrate in the nucleus. In addition, the mols. must have appreciable water solubility, bind DNA sequence specifically, and with high affinity. It is on this basis that the orthogonally positioned diamino/dicationic polyamide Ph-ImPy*Im (I) was designed to target the sequence 5′-ACGCGT-3′. Py* denotes the pyrrole unit that contains a N-substituted aminopropyl pendant group. The DNA binding properties of diamino polyamide I were determined using a number of techniques including CD, ΔT _M, DNase I footprinting, SPR and ITC studies. The effects of the second amino moiety in Py* on DNA binding affinity over its monoamino counterpart Ph-ImPyIm II were assessed by conducting DNA binding studies of II in parallel with I. The results confirmed the minor groove binding and selectivity of both polyamides for the cognate sequence 5′-ACGCGT-3′. The diamino/dicationic polyamide 5 showed enhanced binding affinity and higher solubility in aqueous media over its monoamino/monocationic counterpart Ph-ImPyIm 3. The binding constant of I, determined from SPR studies, was 1.5×10⁷ M^-1, which is ∼3 times higher than that for its monoamino analog 3 (4.8×10⁶ M^-1). The affinity of I is now approaching that of the parent compound f-ImPyIm and its diamino equivalent The advantages of the design of diamino polyamide I over f-ImPyIm and its diamino equivalent are its sequence specificity and the ease of synthesis compared to the N-terminus pyrrole analog. In the experiment, the researchers used many compounds, for example, Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate (cas: 109012-23-9Recommanded Product: Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate).

Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate (cas: 109012-23-9) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Recommanded Product: Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Influence of reactive oxygen species on the enzyme stability and activity in the presence of ionic liquids was written by Attri, Pankaj;Choi, Eun Ha. And the article was included in PLoS One in 2013.Synthetic Route of C4H7ClN2 This article mentions the following:

The authors have examined the effect of ammonium and imidazolium based ionic liquids (ILs) on the stability and activity of proteolytic enzyme α-chymotrypsin (CT) in the presence of cold atm. pressure plasma jet (APPJ). The present work aims to illustrate the state of art implementing the combined action of ILs and APPJ on the enzyme stability and activity. The authors’ CD, fluorescence and enzyme activity results of CT revealed that buffer and all studied ILs {triethylammonium hydrogen sulfate (TEAS) from ammonium family and 1-butyl-3-Me imidazolium chloride ([Bmim][Cl]), 1-methylimidazolium chloride ([Mim][Cl]) from imidazolium family} are notable to act as protective agents against the deleterious action of the APPJ, except triethylammonium dihydrogen phosphate (TEAP) ammonium IL. However, TEAP attenuates strongly the deleterious action of reactive oxygen species (ROS) created by APPJ on native structure of CT. Further, TEAP is able to retain the enzymic activity after APPJ exposure which is absent in all the other systems. This study provides the first combined effect of APPJ and ILs on biomols. that may generate many theor. and exptl. opportunities. Through this methodol., the authors can use both enzyme and plasma simultaneously without affecting the enzyme structure and activity on the material surface; which can prove to be applicable in various fields. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Synthetic Route of C4H7ClN2).

1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Synthetic Route of C4H7ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Low-melting, low-viscous, hydrophobic ionic liquids: 1-alkyl(alkyl ether)-3-methylimidazolium perfluoroalkyltrifluoroborate was written by Zhou, Zhi-Bin;Matsumoto, Hajime;Tatsumi, Kuniaki. And the article was included in Chemistry – A European Journal in 2004.Reference of 79917-89-8 This article mentions the following:

Twenty two hydrophobic ionic liquids, 1-alkyl(alkyl ether)-3-methylimidazolium ([C_mmim]⁺ or [C_mO_nmim]⁺; where C_m is 1-alkyl, C_m = nC_mH_2m+1, m = 1-4 and 6; C_mO_n is 1-alkyl ether, C₂O₁ = CH₃OCH₂, C₃O₁ = CH₃OCH₂CH₂, and C₅O₂ = CH₃(OCH₂CH₂)₂) perfluoroalkyltrifluoroborate ([R_FBF₃]^–, R_F = CF₃, C₂F₅, nC₃F₇, nC₄F₉), were prepared and characterized. Some of the important physicochem. properties of these salts including m.p., glass transition, viscosity, d., ionic conductivity, thermal and electrochem. stability, were determined and were compared with those of the reported [BF₄]^–-based ones. The influence of the structure variation in the imidazolium cation and the perfluoroalkyltrifluoroborate ([R_FBF₃]^–) anion on the above physicochem. properties is discussed. The key features of these new salts are their low m.ps. (-42 to 35°) or extremely low glass transition (between -87 and -117°) without melting, and considerably low viscosities (26-77 cP at 25°). In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Reference of 79917-89-8).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Reference of 79917-89-8

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Extended dissolution studies of cellulose in imidazolium based ionic liquids was written by Vitz, Juergen;Erdmenger, Tina;Haensch, Claudia;Schubert, Ulrich S.. And the article was included in Green Chemistry in 2009.Category: imidazoles-derivatives This article mentions the following:

Ionic liquids (ILs) have become advantageous solvents for the dissolution and homogeneous processing of cellulose in recent years. However, despite significant efforts, only a few ILs are known for their capability to efficiently dissolve cellulose. In order to overcome this limitation, we screened a wide range of potentially suitable ILs. From our studies, some remarkable results were obtained, for example, an odd-even effect was found for different alkyl side-chain lengths of the imidazolium chlorides which could not be observed for the bromides. Furthermore, 1-ethyl-3-methylimidazolium di-Et phosphate was found to be best suitable for the dissolution of cellulose; dissolution under microwave irradiation resulted in almost no color change. No degradation of cellulose could be observed In addition, 1-ethyl-3-methylimidazolium di-Et phosphate has a low m.p. which makes the viscosity of the cellulose solution lower and, thus, easier to handle. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Category: imidazoles-derivatives).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Pretreatment of yellow pine in an acidic ionic liquid: Extraction of hemicellulose and lignin to facilitate enzymatic digestion was written by Cox, Blair J.;Ekerdt, John G.. And the article was included in Bioresource Technology in 2013.Recommanded Product: 1-Methyl-1H-imidazol-3-ium chloride This article mentions the following:

The acidic ionic liquid 1-H-3-methylimidazolium chloride can effectively pretreat yellow pine wood chips under mild conditions for enzymic saccharification. Wood samples were treated at temperatures between 110 and 150 °C for up to 5 h in the ionic liquid and three fractions collected; a cellulose rich fraction, lignin, and an aqueous fraction. This treatment caused the hemicellulose and the lignin to be degraded and dissolved from the cell walls of the pine wood. The lignin was depolymerized and subsequently dissolved in the ionic liquid This process occurred more quickly at higher temperatures, although at the highest temperatures tested, significant cellulose degradation also occurred. The cellulose rich fraction was saccharified using cellulase from Trichoderma viride, with longer pretreatment times at 130 °C resulting in higher glucose yields. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Recommanded Product: 1-Methyl-1H-imidazol-3-ium chloride).

1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Recommanded Product: 1-Methyl-1H-imidazol-3-ium chloride

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis of polysiloxane random copolymers that contain quaternized imidazolium moieties was written by Ichikawa, Tsukasa;Nemoto, Nobukalsu. And the article was included in Kobunshi Ronbunshu in 2016.Electric Literature of C11H20N2 This article mentions the following:

Polysiloxane random copolymers that contain quaternized imidazolium salts ([PImn]Cl) (n is the number of methylene groups) were obtained by the quaternization reaction of poly[dimethylsiloxane-ran-(3-chloropropylmethylsiloxane)] (P1) with imidazole derivatives having different lengths of alkyl chains (Imn) at the 1-position. The introduction ratio of imidazolium salts into P1 was estimated to be from 93 to 100 mol % from ¹H NMR anal. The glass transition temperatures (T_gs) of [PImn]Cls were determined by differential scanning calorimetry (DSC). Of all the samples. [Plm5]Cl and [Plm6]|Cl had the lowest T_g of 14°C which is 12-15 K lower than the T_g of polysiloxane homopolymer having quaternized imidazolium salts without polydimethylsiloxane units. In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Electric Literature of C11H20N2).

1-Octyl-1H-imidazole (cas: 21252-69-7) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Electric Literature of C11H20N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

CNDO/S method interpretation of ultraviolet spectra of 4-nitro and 5-nitroimidazoles was written by Crozet, M. P.;Vanelle, P.;Bouscasse, L.;Avignon, T.. And the article was included in Spectroscopy Letters in 1986.Safety of 1-Methyl-4-nitroimidazole This article mentions the following:

The UV spectra of several nitroimidazoles are reported. These exptl. results are interpreted using CNDO/S method (CNDO for Spectroscopy). Observed transitions are π → π^* type transitions. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Safety of 1-Methyl-4-nitroimidazole).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole has become an important synthon in the development of new drugs. Imidazole is incorporated into many important biological compounds. The most pervasive is the amino acid histidine, which has an imidazole side-chain. Histidine is present in many proteins and enzymes, e.g. by binding metal cofactors, as seen in hemoglobin.Safety of 1-Methyl-4-nitroimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The synthesis of heterocycles via addition-elimination reactions of 4- and 5-aminoimidazoles was written by Al-Shaar, Adnan H. M.;Chambers, Robert K.;Gilmour, David W.;Lythgoe, David J.;McClenaghan, Ian;Ramsden, Christopher A.. And the article was included in Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) in 1992.Safety of 1-Methyl-4-nitroimidazole This article mentions the following:

4-Aminoimidazoles, e.g. I (R = H, R¹ = H, Me, CH₂Ph; R² = H, Me, Et, CHMe₂), undergo addition elimination reactions with electrophilic reagents to give exclusively N-adducts, which are useful intermediates for further synthetic transformations to novel heterocyclic systems. Thus, di-Et ethoxymethylenemalonate (II) and 4-amino-1-benzylimidazole give the adduct I [R = HC:C(CO₂Et)₂, R¹ = CH₂Ph, R² = H], and subsequent acid-catalyzed cyclization gives the imidazo[4,5-b]pyridine III and a heterocyclic mesomeric betaine, which undergoes 1,3-dipolar cycloaddition with di-Me acetylenedicarboxylate to give two products. When the 2-alkyl-4-aminoimidazoles I (R = R¹ = H, R² = Me, Et, CHMe₂) are generated in situ in the presence of II, 5,5′-diimidazoles are significant products; a mechanism for this novel transformation is proposed. 4-Amino-3-cyanoimidazo[1,5-a]pyrimidines IV (R = H, Me) are formed by cyclization of the N-adduct of I (R = R¹ = R² = H) and CR³(OEt):C(CN)₂ (R³ = H, Me). The use of X:NCN [V; X = CH(OEt), CMe(OEt), C(SMe)₂] leads to novel 4-aminoimidazo[1,5-a]-1,3,5-triazine derivatives VI (R¹ = H, Me, SMe; R² = H, Me), whose chem. reactions with both electrophilic and nucleophilic reagents are reported. 5-Aminoimidazoles, e.g., VII (R = H, R¹ = Me, CH₂CH₂OH; R² = Me, CHMe₂), undergo addition-elimination reactions with the electrophilic reagents, e.g. II and V, to give N-adducts and/or C-adducts, depending upon the structure of the reagent. These stable addition-elimination products are usually obtained in good yield and are useful intermediates for further synthesis. Reaction of the amines VII with II gives mainly N-adducts VII [R = HC:C(CO₂Et)₂], which can be cyclized using phosphoryl chloride to give the versatile 7-chloroimidazo[4,5-b]pyridines VIII. With ethoxymethylenemalononitrile, the amines VII give C-adducts, which undergo thermal cyclization to give 5-amino-6-cyanoimidazo[4,5-b]pyridines IX, which are further transformed into novel heterocyclic systems, including the tricyclic imidazo[4′,5′:5,6]pyrido[2,3-d]pyrimidines X (R = H, Ph) and XI (R = H, Bu, CH₂Ph, CH₂CH₂OH). Cyclization of the adducts obtained using V provides new synthetic route to aminopurine derivatives, e.g. XII (R³ = H, NH₂, SMe), and hypoxanthines. The preference of electrophilic reagents for N– or C-addition to VII is rationalized using Frontier MO theory. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Safety of 1-Methyl-4-nitroimidazole).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Safety of 1-Methyl-4-nitroimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem