Category: chlorides-buliding-blocks

Electrochemical Oxidation of Phenolic Compounds at Boron-Doped Diamond Anodes: Structure-Reactivity Relationships was written by Jiang, Yi;Zhu, Xiuping;Xing, Xuan. And the article was included in Journal of Physical Chemistry A in 2017.Formula: C6H5ClO2 The following contents are mentioned in the article:

Electrochem. oxidation of phenolic compounds using B-doped diamond (BDD) anodes was shown as an effective approach to remove these contaminants from H₂O. However, the understanding of the reaction mechanisms of substituted phenolic compounds at the BDD anode remains incomplete. The authors studied the electrochem. oxidation of 12 representative phenolic compounds (with varied substitution groups (e.g., -CH₃, -OCH₃, -NH₂, -Cl, -OH, -COOH, -NO₂, -CHO) and positions (-ortho, -meta, and -para)) at the BDD anode. The authors’ anal. shows that unlike previous studies the two parameters, the Hammett constants of the substituents and the highest at. charge on the aromatic ring, fail to adequately describe the reaction rate change when the chem. structures become complicated (i.e., with increased steric effects). Instead, a quant. structure-property relation (QSPR) was established with 26 mol descriptors and using a partial least-squares regression approach. The QSPR anal. shows that the energy gap between the LUMO and the HOMO, E_LUMO – E_HOMO, which reflects the chem. stability of a mol., is the predominant mol. descriptor determining the reaction rate constant Also, the predicated rate constants agree well with the observed ones. The findings are consistent with previous studies of SnO₂ anodes, suggesting that chem. structural parameters such as the MO energies are critical to consider when elucidating and predicating the electrochem. reactivity of phenolic compounds at these nonactive anodes. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Formula: C6H5ClO2).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Formula: C6H5ClO2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Frequency-controlled electrophoretic mobility of a particle within a porous, hollow shell was written by Welling, Tom A. J.;Grau-Carbonell, Albert;Watanabe, Kanako;Nagao, Daisuke;de Graaf, Joost;van Huis, Marijn A.;van Blaaderen, Alfons. And the article was included in Journal of Colloid and Interface Science in 2022.Synthetic Route of ClLi The following contents are mentioned in the article:

The unique properties of yolk-shell or rattle-type particles make them promising candidates for applications ranging from switchable photonic crystals, to catalysts, to sensors. To realize many of these applications it is important to gain control over the dynamics of the core particle independently of the shell. The core particle may be manipulated by an AC elec. field with rich frequency-dependent behavior. Here, we explore the frequency-dependent dynamic electrophoretic mobility of a charged core particle within a charged, porous shell in AC elec. fields both exptl. using liquid-phase electron microscopy and numerically via the finite-element method. These calculations solve the Poisson-Nernst-Planck-Stokes equations, where the core particle moves according to the hydrodynamic and elec. forces acting on it. In experiments the core exhibited three frequency-dependent regimes of field-driven motion: (i) parallel to the field, (ii) diffusive in a plane orthogonal to the field, and (iii) unbiased random motion. The transitions between the three observed regimes can be explained by the level of matching between the time required to establish ionic gradients in the shell and the period of the AC field. We further investigated the effect of shell porosity, ionic strength, and inner-shell radius. The former strongly impacted the core’s behavior by attenuating the field inside the shell. Our results provide phys. understanding on how the behavior of yolk-shell particles may be tuned, thereby enhancing their potential for use as building blocks for switchable photonic crystals. This study involved multiple reactions and reactants, such as Lithium chloride (cas: 7447-41-8Synthetic Route of ClLi).

Lithium chloride (cas: 7447-41-8) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Synthetic Route of ClLi

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Quantum chemical calculations of formation enthalpies of cations and anions of ionic liquids was written by Govorov, Dmitrii N.;Dunaev, Anatoliy M.;Motalov, Vladimir B.;Kudin, Lev S.. And the article was included in Journal of Molecular Liquids in 2022.Recommanded Product: 7447-41-8 The following contents are mentioned in the article:

The development of advanced ionic-liquid-based applications requires accurate thermochem. data for both ionic liquids and their constituent ions. Herein, the formation enthalpies of alkylimidazolium cations ([C_nMIm⁺], n = 2, 4, 6, 8, 10) and various anions (trifluoromethanesulfonate ([TfO^–]), Et sulfate ([ES^–]), dicyanamide ([DCA^–]), and bis(trifluoromethane)sulfonylimide ([NTf₂^–])) in the ideal gas state were obtained by quantum chem. calculations using d. functional theory (DFT: B3LYP, B98, M06, M06-2X) and composite (G4) thermochem. models in the framework of the isodesmic reaction approach. The enthalpies of heterolytic dissociation of neutral ion pairs (NIPs) for the [C_nMIm⁺][X^–] series (n = 2, 4, 6, 8, 10; X- = [TfO^–], [ES^–], [NTf₂^–], [DCA^–], [BF₄^–], [PF₆^–], [Cl^–], [Br^–], [I^–]) were derived using the obtained data and literature formation enthalpies (Δ_fH°) of NIPs. Anal. of the thermochem. property trends revealed that the formation enthalpies of [C_nMIm⁺] decrease linearly as the alkyl chain length increases. In addition, the use of the isodesmic reaction approach improved the reliability of the computed data. Furthermore, owing to its internal self-consistency, the G4 method was found to be the most appropriate for describing the thermodn. quantities of the cations and anions of ionic liquids This study involved multiple reactions and reactants, such as Lithium chloride (cas: 7447-41-8Recommanded Product: 7447-41-8).

Lithium chloride (cas: 7447-41-8) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Recommanded Product: 7447-41-8

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Selective recovery of lithium resources in salt lakes by polyacrylonitrile/ion-imprinted polymer: Synthesis, testing, and computation was written by Ding, Tao;Wu, Qian;Nie, Zhen;Zheng, Mianping;Wang, Yunsheng;Yang, Donghui. And the article was included in Polymer Testing in 2022.Reference of 7447-41-8 The following contents are mentioned in the article:

Lithium as a strategic metal exhibits extensive applications in the 21st century. The high-efficiency extraction of lithium resources is of economic significance as the market demand for elec. vehicles powered by lithium-ion batteries increases rapidly. A novel silica gel (SG)/graphene oxide (GO) composite nanofiber was prepared by combining surface imprinting technol. with electrospinning technol. to capture Li(I) from salt lakes in an oriented manner. The batch adsorption experiments and fixed-bed adsorption experiments were conducted to evaluate the adsorption performance of the composites. The SG/GO composite exhibited a maximum adsorption capacity of 1.1 mg/g for Li(I). The adsorption kinetics tallied with the pseudo-second-order model, and the isothermal adsorption was similar to the Langmuir model. The adsorption process of the SG/GO composite is one of monolayer chem. adsorption, and the adsorbates did not interact. The adsorption mechanism was revealed by Fourier transform IR (FT-IR) spectroscopy and SEM (SEM), combined with d. functional theory (DFT) computation. The mechanism anal. indicated that the charge transfer occurred between the surface functional groups and metal ions in the adsorption process. The electrons mainly transferred from the P and O atoms of the functional groups to the 3p orbit of Li(I) to form coordinate bonds, which finally achieved the goal of oriented capture of Li(I). The polyacrylonitrile (PAN)/ion-imprinted polymer (IIP) composite nanofiber is a novel, high-efficiency adsorbing material for recovering Li(I) from salt-lake brine. This study involved multiple reactions and reactants, such as Lithium chloride (cas: 7447-41-8Reference of 7447-41-8).

Lithium chloride (cas: 7447-41-8) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Reference of 7447-41-8

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Responses of anaerobic digestion of waste activated sludge to long-term stress of benzalkonium chlorides: Insights to extracellular polymeric substances and microbial communities was written by He, Zhang-Wei;Liu, Wen-Zong;Tang, Cong-Cong;Liang, Bin;Zhou, Ai-Juan;Chen, Fan;Ren, Yong-Xiang;Wang, Ai-Jie. And the article was included in Science of the Total Environment in 2021.Application of 122-18-9 The following contents are mentioned in the article:

Quaternary ammonium compounds have gained widespread attention due to their extensive enrichment in waste activated sludge (WAS) and potentially adverse effect to anaerobes. This study selected benzalkonium chlorides (BACs) as model to reveal the responses of anaerobic digestion of WAS to long-term stress of BACs. Results showed that the solubilization enhancement of WAS contributed by BACs was the acceleration of cell lysis, rather than the disruption of extracellular polymeric substances, and the accumulation improvement of short chain fatty acids (SCFAs) attributed to hydrolysis improvement and methanogenesis inhibition at either medium -or high level of BACs. In addition, a low level had no significant effect on the production of methane compared to control, with averages of 0.059 and 0.055 m3/(m3·d), resp., whereas a medium level reduced methane production to 20% of control, and a high level almost completely inhibited methanogenesis. Correspondingly, BACs could shift microbial communities related to SCFAs and methane productions. For the bacterial community, a high level of BACs led to abundance reductions of Firmicutes, Bacteroidetes, Acidobacteria and Chloroflexi, but Synergistetes was increased to 10.5%, which was almost not detected either in control or at a low level of BACs. And for dominant archaeal community, they tended to be shifted from acetotrophic to hydrogenotrophic methanogens with BACs increasing from low to high level. These findings provided some new insights for the role of BACs in anaerobic digestion, as well as resource recovery from WAS. This study involved multiple reactions and reactants, such as N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9Application of 122-18-9).

N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Application of 122-18-9

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Promising bio-active complexes of platinum(II) and palladium(II) derived from heterocyclic thiourea: Synthesis, characterization, DFT, molecular docking, and anti-cancer studies was written by Faihan, Ahmed S.;Hatshan, Mohammad R.;Kadhim, Mustafa M.;Alqahtani, Ali S.;Nasr, Fahd A.;Saleh, Abdulrahman M.;Al-Jibori, Subhi A.;Al-Janabi, Ahmed S.. And the article was included in Journal of Molecular Structure in 2022.Safety of Sodium tetrachloropalladate(II) The following contents are mentioned in the article:

Four platinum(II) and palladium(II) heterocyclic thiourea complexes were prepared; [Pt(CPPT)₂] (1), [Pd(CPPT)₂] (2), [Pt(MPPT)₂] (3), and [Pd(MPPT)₂] (4) (Where HCPPT = 1-(5-chloropyridin-2-yl)-3-phenylthiourea, HMPPT = 1-(3-methylpyridin-2-yl)-3-phenylthiourea). Both the ligands and the complexes were characterized by different spectroscopic techniques including: FTIR, ¹H, ¹³C-{¹H} NMR and Mass spectroscopy. The spectroscopic data anal. suggested that the complexes (1–4) adopt a square planar geometry with cis-configuration of platinum and trans- configuration of palladium complexes. Antiproliferative data indicated that palladium(II) complexes exerted a potent cytotoxic activity in comparison with platinum(II) complexes. Among all tested complexes, [Pd(MPPT)₂] exhibited a promising activity with an IC₅₀ value of 10.44 and 17.7μM against colon cancer cell lines (LoVo) and breast cancer cell lines (MCF-7), resp. Theor. calculations were applied to estimate the phys. properties and the inhibition activity of cancer cells by docking. Gaussian 09 software with 6-311G (d, p) basis set was used for theor. study. Furthermore, quantum chem. parameters of HOMO, LUMO, dipole moment, energy gap and other parameters were used to evaluate the complexes activity. MGL tools and DSV software were used to test the complexes inhibitions of breast cancer by blocking the damage cells. This study involved multiple reactions and reactants, such as Sodium tetrachloropalladate(II) (cas: 13820-53-6Safety of Sodium tetrachloropalladate(II)).

Sodium tetrachloropalladate(II) (cas: 13820-53-6) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Safety of Sodium tetrachloropalladate(II)

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Fabrication of Polydiacetylene Liposome Chemosensor with Enhanced Fluorescent Self-Amplification and Its Application for Selective Detection of Cationic Surfactants was written by Wang, Dong-En;Zhao, Lei;Yuan, Mao-Sen;Chen, Shu-Wei;Li, Tianbao;Wang, Jinyi. And the article was included in ACS Applied Materials & Interfaces in 2016.HPLC of Formula: 122-18-9 The following contents are mentioned in the article:

Polydiacetylene (PDA) materials have been adopted as one of the powerful conjugated polymers for sensing applications due to their unique optical properties. In this paper, we present a new PDA liposome-based sensor system with enhanced fluorescent self-amplification by tuning a fluorophore fluorescence emission. In this system, a 1,8-naphthalimide derivative employed as a highly fluorescent fluorophore was incorporated into a PDA supermol. During the formation of blue PDA liposomes, the fluorescence emission of the fluorophore can be directly quenched, while thermal-induced phase transition of PDA liposomes from blue to red can readily restore this fluorescence emission. These phenomena could be ascribed to the tunable Forster energy transfer between the excited fluorophore and PDA conjugated framework. To demonstrate the sensing performance of this newly prepared PDA liposome-based sensor, the sensor with fluorescent self-amplification was successfully applied for the detection of cationic surfactants (CS). The results show that the PDA liposomes displayed a distinct color change and fluorescence restoration in the presence of cationic surfactant species, and allowed detection of cationic surfactants with high sensitivity and selectivity. The limit of detection for target CS, such as cetyltrimethylammonium bromide (CTAB), can reach as low as 184 nM. Compared to the traditional methods based on colorimetric PDA liposomes, this newly fabricated PDA sensor system was superior for sensitivity. Thus, our findings offer an avenue for the design and development of new types of PDA sensors with enhanced sensitivity. This study involved multiple reactions and reactants, such as N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9HPLC of Formula: 122-18-9).

N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.HPLC of Formula: 122-18-9

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Interaction between tetradecyltrimethylammonium bromide and benzyldimethylhexadecylammonium chloride in aqueous/urea solution at various temperatures: An experimental and theoretical investigation was written by Molla, Mohammad Robel;Abdul Rub, Malik;Ahmed, Anwar;Hoque, Anamul Md.. And the article was included in Journal of Molecular Liquids in 2017.Formula: C25H46ClN The following contents are mentioned in the article:

The mixed micelle formation between tetradecyltrimethylammonium bromide (TTAB) and benzyldimethylhexadecylammonium chloride (BDHAC) has been investigated in the absence as well as attendance of urea using conductivity technique. The evaluated values were examined in accordance with Rubingh model. The obtained values of critical micelle concentration (cmc) were smaller than cmc^id values suggesting attractive interactions between the constituents of solution The micellar mole fractions (X^Rub₁) of BDHAC, estimated by Rubingh model, were always higher than their ideal values (X^id₁) suggesting the high contributions of BDHAC in mixtures of TTAB and BDHAC. Interaction parameter (β) value was found to be neg. showing an attractive interaction between the studied components. Activity coefficients (f^Rub₁ and f^Rub₂) were always smaller than one in all cases and it indicates the attractive interaction between TTAB and BDHAC. The values of ΔG^o_m are found to be neg. in all the cases which indicate the spontaneous formation of micelle. The values of ΔH⁰_m are neg. in all cases indicating the exothermic process. The values of ΔS⁰_m are pos. in case of aqueous medium and 500 mmol·kg^– 1 urea solutions but found to be neg. in attendance of 1000 mmol·kg^– 1 urea. The values of excess free energy of micellization (ΔG^Rub_ex) were also estimated and achieved to be neg. showing the stability of mixed micelles. This study involved multiple reactions and reactants, such as N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9Formula: C25H46ClN).

N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Formula: C25H46ClN

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Metal Coordination Properties of a Chromophoric Desferrioxamine (DFO) Derivative: Insight on the Coordination Stoichiometry and Thermodynamic Stability of Zr⁴⁺ Complexes was written by Savastano, Matteo;Boscaro, Francesca;Bianchi, Antonio. And the article was included in Molecules in 2022.Computed Properties of C4H12ClN The following contents are mentioned in the article:

Desferrioxamine (DFO) is the current “gold standard” chelator for ⁸⁹Zr⁴⁺, which is used to label monoclonal antibodies for applications in immunopositron emission tomog. Recently, controversial data have been reported regarding the speciation and the stability of the complexes formed by DFO with Zr⁴⁺ in solution To shed some light on this point, we studied the coordination properties in solution ofa chromophoric DFO derivative bearing a substituted pyrimidine residue (DFO-Pm) toward several metal ions (Zr⁴⁺, Cu²⁺, Zn²⁺, Mg²⁺, Ca²⁺, Na⁺, K⁺). Potentiometric titrations showed that DFO-Pm and pristine DFO form complexes with very similar stoichiometry and stability. DFO-Pm, which can consequently be taken as a model system for DFO, provides a photochem. response to metal coordination that can be used to further define the complexes formed. In the critical case of Zr⁴⁺, spectrophotometric measurements allowed the verification of the formation of 1:1 and 2:3 complexes that, together with 2:2 complexes form the coordination model that was obtained through the use of our potentiometric measurements. Addnl., mass spectrometry measurements verified the formation of 1:1 and 2:3 complexes and showed that 1:2 species can be easily generated through the fragmentation of the 2:3 species. In conclusion, the results obtained with DFO-Pm validate the complexation model of Zr⁴⁺/DFO composed of 1:1, 2:2, and 2:3 metal-to-ligand complexes. Convergences and conflicts with other works are addressed. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Computed Properties of C4H12ClN).

Tetramethylammonium chloride (cas: 75-57-0) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Computed Properties of C4H12ClN

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Kinetic and thermodynamic studies of eicosapentaenoic acid extraction from Nannochloropsis oceanica using tetramethyl ammonium chloride and microwave irradiation was written by Motlagh, Shiva Rezaei;Khezri, Ramin;Harun, Razif;Awang Biak, Dayang Radiah;Hussain, Siti Aslina;Chee, Ching Yern;Kheawhom, Soorathep. And the article was included in PLoS One in 2022.Formula: C4H12ClN The following contents are mentioned in the article:

Microalgae have garnered widespread attention as a sustainable source of pharmaceuticals and nutraceuticals. As for extracting lipids from microalgae, the combination of microwave-assisted extraction (MAE) and ionic liquids (IL) is shown to be promising. However, such an undertaking usually requires a large consumption of expensive ILs. This study innovatively employs tetra-Me ammonium chloride ([TMAm][Cl]) as an additive in water medium to associate with microwave-assisted ionic liquid extraction (MAILE) in extracting lipids from Nannochloropsis oceanica (N. oceanica) microalgae. In extraction, knowledge of reaction kinetics is crucial since it provides the foundation for developing, controlling, and improving the processes of extraction Herein, using MAILE, lipids are extracted from N. oceanica microalgae and transesterified to eicosapentaenoic acid (EPA). Mass transfer kinetics are, therefore, investigated using the first and second-order rate law and Patricelli’s model. In the development of models, the influence of temperature (60-90°C) and reaction time (1-25 min) on EPA extraction is empirically evaluated. From the thermodn. study, the pos. values of ΔS (+0.10 kJ mol^-1K^-1) and ΔH (+32.50 kJ mol^-1) and the neg. value of ΔG (-1.68 to -4.75 kJ mol^-1) confirm that this process is endothermic in nature, irreversible and spontaneous. MAILE proves to be a promising approach for the extraction of high-quality EPAs. Due to its low cost, rapid operation, and environmental friendliness, it is seen to be suitable for both pharmaceutical and nutraceutical applications. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Formula: C4H12ClN).

Tetramethylammonium chloride (cas: 75-57-0) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Formula: C4H12ClN

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics