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1

Bakalova, Snezhana. "Solvent Effects on the Fluorescence Properties of Methyldihydroquinolinones." Zeitschrift für Naturforschung A 46, no. 9 (1991): 823–28. http://dx.doi.org/10.1515/zna-1991-0913.

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Abstract The absorption and fluorescence spectra and the fluorescence quantum yields of two methyl-2,3- dihydro-4(1H)-quinolinones in various solvents are reported. In some solvents deuteration-induced fluorescence enhancement has been observed. The solvent effects in aprotic solvents are consistent with the general type of solvent interaction. For protic solvents, solute-solvent complexation in the excited state is suggested
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2

Schulz, Lara, and Siegfried Waldvogel. "Solvent Control in Electro-Organic Synthesis." Synlett 30, no. 03 (2018): 275–86. http://dx.doi.org/10.1055/s-0037-1610303.

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Exploiting the solvent control within electro-organic conversions is a far underestimated parameter in prep-scale electrolysis. The beneficial application in several transformations is outlined and in particular discussed for the dehydrogenative coupling of arenes and heteroarenes. This simple electrolytic strategy in fluorinated solvents allows the modulation of the substrate’s nucleophilicity and the stabilization of the intermediates as well as of the final product from over-oxidation.1 Introduction2 Solvent Effects in Kolbe Electrolysis and Anodic Fluorination3 Unique Solvent Effects of 1,
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3

Reichardt, Christian. "Solvents and Solvent Effects: An Introduction." Organic Process Research & Development 11, no. 1 (2007): 105–13. http://dx.doi.org/10.1021/op0680082.

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4

Shabanian, Meisam, Hassan Moghanian, Mohsen Hajibeygi, and Azin Mohamadi. "Theoretical Investigation of Solvation Effects on the Tautomerism of Maleic Hydrazide." E-Journal of Chemistry 9, no. 1 (2012): 107–12. http://dx.doi.org/10.1155/2012/976161.

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A DFT study is used to calculate structural data of tautomers of maleic hydrazide (MH) in the gas phase and selected solvents such as benzene (non-polar solvent), tetrahydrofuran (polar aprotic solvent) and methanol (protic solvent), dimethyl sulfoxide (polar aprotic solvent) and water (protic solvent) using PCM model. All tautomers are optimized at the B3LYP/6−31++G(d,p). The results show that the tautomer MH2except in methanol is more stable than the other tautomers but in methanol MH5(Diol) is more stable. In addition, stability of the tautomers in deferent solvents shows interesting result
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5

K., K. Mazumder, and C. Lahiri S. "Solvent effects on the charge transfer complexes between p-chloranil and 2,2' -bipyridine and 1,10-phenanthroline." Journal of Indian Chemical Society Vol. 81, Dec 2004 (2004): 1051–56. https://doi.org/10.5281/zenodo.5833392.

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Department of Chemistry, Fakirchand College, Diamond Harbour-743 331, 24-Pargana (S), India Department of Chemistry, Kalyani University, Kalyani-741 235, India <em>E-mail</em> : sujitc!ahiri @yahoo.com <em>Manuscript received 16 August 2004</em> Complex formation between p-chloranil (Cl-Q) and the heterocyclic aromatic donors like 2,2&#39;-bipyridine (hipy) and 1,10- phenanthroline (phen) were studied in different aliphatic and aromatic solvents. The complexes are found to he considerably stable in different solvents. The comparable values of both Cl-Q + bipy and Cl-Q + phen suggest that the c
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6

Lathbury, David. "SPECIAL FEATURE SECTION: SOLVENTS AND SOLVENT EFFECTS." Organic Process Research & Development 11, no. 1 (2007): 104. http://dx.doi.org/10.1021/op060248u.

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7

Xiao, Rui, Jin Qian, and Shaoxing Qu. "Modeling Gel Swelling in Binary Solvents: A Thermodynamic Approach to Explaining Cosolvency and Cononsolvency Effects." International Journal of Applied Mechanics 11, no. 05 (2019): 1950050. http://dx.doi.org/10.1142/s1758825119500509.

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If gel swells in binary solvents, two unusual phenomena may appear. Two solvents with relatively low swelling ability may become a good solvent for the polymer with high swelling ability when mixed, which is known as a cosolvency effect. In contrast, a cononsolvency effect indicates polymer is less soluable in solvent mixtures than it is in each of the cosolvents. In this work, we develop a thermodynamic theory to describe the equilibrium swelling behaviors of gels in binary solvents based on the Flory–Huggins lattice model. The model can reproduce both cosolvency and cononsolvency effects, sh
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8

Friedrich, Josef, and Jane M. Vanderkooi. "Solvent Effects." Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics 1749, no. 2 (2005): 147. http://dx.doi.org/10.1016/j.bbapap.2005.05.001.

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9

STĂNILĂ, Andreea, Zoriţa DIACONEASA, Rodica SIMA, Sorin STĂNILĂ, and Nicușor SIMA. "Effects of Extraction Solvents on the Quantification of Free Amino Acids in Lyophilised Brewer’s Yeast." Bulletin of University of Agricultural Sciences and Veterinary Medicine Cluj-Napoca. Food Science and Technology 75, no. 1 (2018): 53. http://dx.doi.org/10.15835/buasvmcn-fst:2017.0037.

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The aim of this work was to test some solvents in order to improve the free amino acids extraction from lyophilised brewer’s yeast. The brewer’ yeast was treated with four types of extraction solvents: Solvent I – acetonitrile 25%/HCl 0.01M (ACN); Solvent II – ethanol 80%; solvent III – HCl 0.05M/deionized water (1/1 volume); Solvent IV – HCl 0.05M/ethanol 80% (1/1 volume). The supernatants were analysed by HPLC-DAD-ESI-MS method. Acetonitrile provided the less quantities and number of amino acids extracted due to its weaker polarity. Solvent II and IV (ethanol, respectively acidified ethanol)
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10

Wong, Ming Wah, Michael J. Frisch, and Kenneth B. Wiberg. "Solvent effects. 1. The mediation of electrostatic effects by solvents." Journal of the American Chemical Society 113, no. 13 (1991): 4776–82. http://dx.doi.org/10.1021/ja00013a010.

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11

Byrne, Alan, Brendan Kirby, Terry Zibin, and Shauna Ensminger. "Psychiatric and Neurological Effects of Chronic Solvent Abuse." Canadian Journal of Psychiatry 36, no. 10 (1991): 735–38. http://dx.doi.org/10.1177/070674379103601008.

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This study is a review of the psychiatric and neurological effects of solvent inhalation on a group of 22 patients with chronic histories of solvent abuse, primarily toluene-based solvents. The findings suggest that the chronic inhalation of toluene-based adhesives can produce a paranoid psychosis which may persist. Other findings were a high incidence of temporal lobe epilepsy and decrease in IQ. We suggest that the psychiatric and neurological sequelae of chronic solvent abuse are serious and potentially irreversible. Toluene is felt to be a major factor in the morbidity associated with chro
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12

Kafle, Arjun, Jun Liu, and Lina Cui. "Controlling the stereoselectivity of glycosylation via solvent effects." Canadian Journal of Chemistry 94, no. 11 (2016): 894–901. http://dx.doi.org/10.1139/cjc-2016-0417.

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This review covers a special topic in carbohydrate chemistry — solvent effects on the stereoselectivity of glycosylation reactions. Obtaining highly stereoselective glycosidic linkages is one of the most challenging tasks in organic synthesis, as it is affected by various controlling factors. One of the least understood factors is the effect of solvents. We have described the known solvent effects while providing both general rules and specific examples. We hope this review will not only help fellow researchers understand the known aspects of solvent effects and use that in their experiments,
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13

Hanna, Salim Y., Moafaq Y. Shandala, and Salim M. Khalil. "Solvent Effects on OH Stretching Frequencies for 3-Arylallyl Alcohols." Zeitschrift für Naturforschung A 59, no. 11 (2004): 804–8. http://dx.doi.org/10.1515/zna-2004-1114.

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Eight 3-arylallyl alcohols were prepared, and their OH stretching frequencies were measured in twenty non-HBD solvents at room temperature. The observed stretching bands were highly sensitive to the nature of the solvents. Multiple parameter equations were applied to investigate the solvent effect on the O-H stretching frequency. The most significant solvent parameters were the nucleophilicity parameter and the Gutmann donor number, while the electrophilicity parameter was not significant
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14

Pooja, Mahawar, Jangid Anushka, Singh Yadvendra, and Rao Ammilal. "Kinetic and Mechanistic Study of the Oxidation of Some Para-substituted Benzhydrols by Cetyltrimethylammonium Bromochromate using Spectrophotometric Technique." Indian Journal of Science and Technology 17, no. 45 (2024): 4798–807. https://doi.org/10.17485/IJST/v17i45.3210.

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Abstract <strong>Objectives:</strong>&nbsp;This study investigates the oxidation of para-substituted benzhydrols by cetyltrimethylammonium bromochromate (CTMABC) in dimethylsulfoxide (DMSO), aiming to elucidate the reaction kinetics and solvent effects.&nbsp;<strong>Methods:</strong>&nbsp;The oxidation was carried out under pseudo-first-order conditions, showing first-order kinetics for both CTMABC and benzhydrols. The role of hydrogen ions in catalysis was examined, and the reaction was analyzed in 19 different organic solvents. Solvent effects were quantified using Kamlet&rsquo;s and Swain&r
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15

Nevěčná, Taťjana, Vojtěch Bekárek, and Oldřich Pytela. "A Study of Effects of Temperature and Medium on Reaction of Triethylamine with Ethyl Bromide." Collection of Czechoslovak Chemical Communications 59, no. 6 (1994): 1384–91. http://dx.doi.org/10.1135/cccc19941384.

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The rate constants of reaction of triethylamine with ethyl bromide have been measured in 13 solvents at the temperatures of 293, 313, 333, and 373 K. The activation entropies in the individual solvents increase when going from nonpolar to dipolar aprotic and polar protic solvents, which is explained by dominant solvation of the basic triethylamine and by formation of highly ordered associates without solvent in the activated complex in nonpolar solvent media. No isokinetic relationship has been found between the activation entropy and activation enthalpy, which indicates different solvent effe
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16

Tan, Yeong Hwang, Mee Kin Chai, and Ling Shing Wong. "The Effects of Parameters on the Efficiency of DLLME in Extracting of PAHs from Vegetable Samples." International Journal of Engineering & Technology 7, no. 4.35 (2018): 15. http://dx.doi.org/10.14419/ijet.v7i4.35.22313.

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An effective analytical method based on microwave-assisted extraction (MAE) and dispersive liquid-liquid microextraction (DLLME) followed by gas chromatography-flame ionization detector (GC-FID) was developed for the determination of polycyclic aromatic hydrocarbons (PAHs) in vegetable samples. In most cases, the details of the parameters influencing the efficiency of DLLME in extraction are not well studied. Understanding the reactions of solvents in extraction is the important task on selecting of an appropriate solvent in the process. The effects of parameters affecting the extraction effic
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17

Ming, Hui, Xin Yang, Pu Zheng, Yifan Zhang, Haoxin Jiang, and Libo Zhang. "Recent Advances of Solvent Effects in Biomass Liquefaction Conversion." Energies 17, no. 12 (2024): 2814. http://dx.doi.org/10.3390/en17122814.

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Liquefaction conversion technology has become one of the hottest biomass conversion methods due to its flexible material selection and extensive product applications. Exploring biomass liquefaction conversion focuses on catalysts, biomass/water ratio, and reaction temperature. However, it is found that solvents are crucial in the biomass liquefaction process and significantly impact the type of liquefied products and bio-oil yield. Given the current rapid development trend, timely sorting and summary of the solvent effect in the biomass liquefaction process can promote the subsequent developme
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18

Sherwood, James, James H. Clark, Ian J. S. Fairlamb, and John M. Slattery. "Solvent effects in palladium catalysed cross-coupling reactions." Green Chemistry 21, no. 9 (2019): 2164–213. http://dx.doi.org/10.1039/c9gc00617f.

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19

Werst, D. W. "Solvent effects in nonpolar solvents: Radical anion reactions." Chemical Physics Letters 202, no. 1-2 (1993): 101–7. http://dx.doi.org/10.1016/0009-2614(93)85357-t.

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20

Torras, Juan, David Zanuy, David Aradilla, and Carlos Alemán. "Solvent effects on the properties of hyperbranched polythiophenes." Physical Chemistry Chemical Physics 18, no. 35 (2016): 24610–19. http://dx.doi.org/10.1039/c6cp04812a.

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21

Abraham, Michael H., Priscilla L. Grellier, Jose-Luis M. Abboud, Ruth M. Doherty, and Robert W. Taft. "Solvent effects in organic chemistry — recent developments." Canadian Journal of Chemistry 66, no. 11 (1988): 2673–86. http://dx.doi.org/10.1139/v88-420.

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Solvent effects on a number of different processes have been surveyed, and results of the application of multiple linear regression analysis are discussed. The processes examined include examples of solubility of gases or vapours, distribution coefficients of solutes between water and a series of solvents, and solvent effects on conformational equilibria, on keto–enol tautomerism, and on reaction rates. It is shown that two particular equations, that due to Koppel and Palm and extended by Makitra and Pirig, and that due to Abraham, Kamlet, and Taft, can cope quite satisfactorily with solvent e
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22

Peiris, Sedigallage A., and Gordon R. Freeman. "Solvent structure effects on solvated electron reactions with ions in 2-butanol/water mixed solvents." Canadian Journal of Chemistry 69, no. 5 (1991): 884–92. http://dx.doi.org/10.1139/v91-130.

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The Smoluchowski–Debye–Stokes–Einstein equation for the rate constant k2 of a bimolecular reaction between charged or polar species[Formula: see text]was used to evaluate effects of bulk solvent properties on reaction rates of solvated electrons with [Formula: see text] and [Formula: see text] in 2-butanol/water mixed solvents. To explain detailed effects it was necessary to consider more specific behavior of the solvent. Rate constants k2, activation energies E2, and pre-exponential factors A2 of these reactions vary with the composition of 2-butanol/water mixtures. The values of E2 were in g
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23

Drmanic, Sasa, Aleksandar Marinkovic, and Bratislav Jovanovic. "Effects of solvent and structure on the reactivity of 6-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents." Journal of the Serbian Chemical Society 74, no. 12 (2009): 1359–70. http://dx.doi.org/10.2298/jsc0912359d.

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The rate constants for the reactions of diazodiphenylmethane (DDM) with 6-substituted nicotinic acids in aprotic solvents at 30?C were determined. The obtained second order rate constants in aprotic solvents, together with literature data for benzoic and nicotinic acids in protic solvents, were used for the calculation of solvent effects, employing the Kamlet-Taft solvatochromic equation (linear solvation energy relationship - LSER) in the form: log k = log k0 + + s?*+ a? + b?. The correlations of the kinetic data were performed by means of multiple linear regression analysis taking appropriat
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24

Masoud, Mamdouh Saad, Alaa Eldin Ali, Gehan Shaaban Elasala, and Rehab Elsaid Elwardany. "Spectroscopic study of solvent effects on the electronic absorption spectra of morpholine and its complexes." European Journal of Chemistry 14, no. 1 (2023): 53–64. http://dx.doi.org/10.5155/eurjchem.14.1.53-64.2365.

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The electronic absorption spectra of morpholine and its five morpholine complexes have been studied in different solvents of various polarities. The regression and correlation coefficients have been calculated with the SPSS program. Solvation energy relationships were deduced from spectral shifts and correlated with solvent parameters α (solvent hydrogen bond donor acidity), β (solvent hydrogen bond acceptor basicity), and π* (dipolarity/polarizability). The percentage contributions of the calculated solvatochromic parameters show that classic solvation effects play a major role in explaining
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25

Chialvo, Ariel A., and Oscar D. Crisalle. "Solvent and H/D Isotopic Substitution Effects on the Krichevskii Parameter of Solutes: A Novel Approach to Their Accurate Determination." Liquids 2, no. 4 (2022): 474–503. http://dx.doi.org/10.3390/liquids2040028.

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We establish a direct route for the accurate determination of the solvent effect on the Krichevskii parameter of a solute, based solely on the contrasting solvation behavior of the solute in the desired solvent relative to that of the reference solvent, i.e., in terms of the distinct solvation Gibbs free energies of the solute and the corresponding Krichevskii parameters of an ideal gas solute in the pair of solvents. First, we illustrate the proposed approach in the determination of the H/D−solvent effect on the Krichevskii parameter of gaseous solutes in aqueous solutions, when the solvents
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26

Away, Kenneth Charles West, and Zhu-Gen Lai. "Solvent effects on SN2 transition state structure. II: The effect of ion pairing on the solvent effect on transition state structure." Canadian Journal of Chemistry 67, no. 2 (1989): 345–49. http://dx.doi.org/10.1139/v89-056.

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Identical secondary α-deuterium kinetic isotope effects (transition state structures) in the SN2 reaction between n-butyl chloride and a free thiophenoxide ion in aprotic and protic solvents confirm the validity of the Solvation Rule for SN2 Reactions. These isotope effects also suggest that hydrogen bonding from the solvent to the developing chloride ion in the SN2 transition state does not have a marked effect on the magnitude of the chlorine (leaving group) kinetic isotope effects. Unlike the free ion reactions, the secondary α-deuterium kinetic isotope effect (transition state structure) f
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27

Pham, Quoc Dat, Daniel Topgaard, and Emma Sparr. "Tracking solvents in the skin through atomically resolved measurements of molecular mobility in intact stratum corneum." Proceedings of the National Academy of Sciences 114, no. 2 (2016): E112—E121. http://dx.doi.org/10.1073/pnas.1608739114.

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Solvents are commonly used in pharmaceutical and cosmetic formulations and sanitary products and cleansers. The uptake of solvent into the skin may change the molecular organization of skin lipids and proteins, which may in turn alter the protective skin barrier function. We herein examine the molecular effects of 10 different solvents on the outermost layer of skin, the stratum corneum (SC), using polarization transfer solid-state NMR on natural abundance 13C in intact SC. With this approach it is possible to characterize the molecular dynamics of solvent molecules when present inside intact
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28

Exner, Otto, Martin Hradil, and Jiří Mollin. "Dissociation of Hydroxamic Acids: Solvent Effects." Collection of Czechoslovak Chemical Communications 58, no. 5 (1993): 1109–21. http://dx.doi.org/10.1135/cccc19931109.

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The dissociation constants of benzohydroxamic, 4-chlorobenzohydroxamic, and 4-nitrobenzohydroxamic acids, and their N-methyl and O-methyl derivatives, were measured spectrophotometrically or potentiometrically in mixtures of 2-propanol and water. The results were extrapolated to zero ionic strength. The ratio of dissociation constants of the N-methyl and O-methyl derivatives can be taken to represent - with some approximation - the ratio of NH and OH acidities of the parent acid. This ratio increases with substitution by electron-attracting substituents, and decreases with solvent permittivity
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29

Nyquist, R. A. "The KBM Equation for Solvent-Induced Frequency Shifts Revisited." Applied Spectroscopy 43, no. 7 (1989): 1208–11. http://dx.doi.org/10.1366/0003702894203435.

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The KBM equation for determining solvent frequency shifts is generally useless for predicting vC = O frequencies for compounds in various solvent systems. The vC = O frequencies for acetone and tetramethylurea in various solvents do not correlate with dielectric effects (ε) of the solvent. A series of factors most likely determine the extent of solute/solvent-induced vibrational mode frequency shifts.
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30

Alkorta, Ibon, Cristina Trujillo, Goar Sánchez-Sanz, and José Elguero. "Solvent and Substituent Effects on the Phosphine + CO2 Reaction." Inorganics 6, no. 4 (2018): 110. http://dx.doi.org/10.3390/inorganics6040110.

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A theoretical study of the substituent and solvent effects on the reaction of phosphines with CO2 has been carried out by means of Møller-Plesset (MP2) computational level calculations and continuum polarizable method (PCM) solvent models. Three stationary points along the reaction coordinate have been characterized, a pre-transition state (TS) assembly in which a pnicogen bond or tetrel bond is established between the phosphine and the CO2 molecule, followed by a transition state, and leading finally to the adduct in which the P–C bond has been formed. The solvent effects on the stability and
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31

Xu, Chenxuan, Jingdong Zhu, Dedi Li, Xu Qian, Gang Chen, and Huachao Yang. "Unveiling the Effects of Solvent Polarity within Graphene Based Electric Double-Layer Capacitors." Energies 15, no. 24 (2022): 9487. http://dx.doi.org/10.3390/en15249487.

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Solvents have been considered to show a profound influence on the charge storage of electric double-layer capacitors (EDLCs). However, the corresponding mechanisms remain elusive and controversial. In this work, the influences of solvent dipole moment on the EDL structures, kinetic properties, and charging mechanisms of graphene-based EDLCs are investigated with atomistic simulations. Specifically, electrolyte structuring is conspicuously modulated by solvents, where a sharp increment of capacitance (~325.6%) and kinetics (~10-fold) is documented upon the slight descent of polarity by ~33.0%.
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32

Mei, Jingjing, Fei Wang, Yunpeng Wang, Cancan Tian, Hongzhen Liu, and Dongxu Zhao. "Energy transfer assisted solvent effects on CsPbBr3 quantum dots." Journal of Materials Chemistry C 5, no. 42 (2017): 11076–82. http://dx.doi.org/10.1039/c7tc03351f.

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33

MAKWANI, DIKSHA, and R. VIJAYA. "SOLVENT EFFECTS ON THE DISPERSION OF LINEAR POLARIZABILITY AND FIRST HYPERPOLARIZABILITY OF PARA-NITROANILINE USING POLARIZABLE CONTINUUM MODEL." Journal of Nonlinear Optical Physics & Materials 18, no. 01 (2009): 85–97. http://dx.doi.org/10.1142/s0218863509004452.

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The results of ab-initio calculation of frequency dependent linear polarizability α and first hyperpolarizability β of para-nitroaniline (p-NA) in the presence of different solvents are presented using polarizable continuum model (PCM). Geometry of p-NA in different solvents was optimized using HF/6-31 + G(d,p). Both static and frequency dependent α and β initially increase with an increase in the dielectric constant of the solvent used with p-NA, but subsequently attain an almost constant value. With solvents of higher dielectric constant, the value of static β is more compared to the β value
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34

Afandi, Asrul, Shazani Sarijan, and Ranajit Kumar Shaha. "Optimization of Rebaudioside A Extraction from Stevia Rebaudiana (Bertoni) and Quantification by High Performance Liquid Chromatography Analysis." Journal of Tropical Resources and Sustainable Science (JTRSS) 1, no. 1 (2021): 62–70. http://dx.doi.org/10.47253/jtrss.v1i1.671.

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A solid-liquid extraction and an HPLC method for determination of rebaudioside A from the leave parts of Stevia rebaudiana were developed. Separation method consisted of solvent extraction of leaf powder using various solvents like petroleum ether, methanol, diethyl ether and butanol followed by its purification using high performance liquid chromatography in order to obtain bioactive compound rebaudioside A. This solvent selection is very important prior to alternative extraction methods since it can be used as a pre-extraction solvents, main solvents, or co-solvents. The problem of hydrolysa
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35

K., K. MAJUMDAR, and LAHIRl S.C. "Solvent Effects on the Stability Constants of the Molecular Complexes of Chloranil with Benzoic and Salicylic Acids." Journal of Indian Chemical Society Vol. 74, May 1997 (1997): 378–81. https://doi.org/10.5281/zenodo.5881883.

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&nbsp;F.C. College, Diamond Harbour, 24-Parganas (S)-743 331 Department of Chemistry, University of Kalyani, Kalyam-741 235 <em>Manuscript received 6 July 1995, revised 28 February 1996, accepted 8 March 1996</em> In order to explore the role of solvents on the molecular complexes, the stability or the formation constants of the molecular complexes of chloranil with benzoic and salicylic acids have been determined in different solvents. The stability constants of the complexes are high indicating fairly stable complex formation resulting from both specific (i.e. chemical) and non-specific (i.e
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36

Yang, Peng Fei. "Effects of Solvent Polarity on the Urethane Reaction of 1,2-Propanediol." Advanced Materials Research 450-451 (January 2012): 38–41. http://dx.doi.org/10.4028/www.scientific.net/amr.450-451.38.

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The urethane reaction kinetics of 1,2-propanediol with phenyl isocyanate are investigated in different solvents, such as xylene, toluene and dimethylformamide. In-situ FT-IR is used to monitor the reaction to work out rate constant. It showsthat the urethane reaction has been found to be a second order reaction, solvents largely affects reaction rates. The reaction is largely accelerated in polar solvents, following the order of dimethylformamide &gt; toluene &gt; xylene. Further more, when dimethylformamide is used as solvent, the rate constants are different between initial stage and final s
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37

Norjmaa, Gantulga, Gregori Ujaque, and Agustí Lledós. "Beyond Continuum Solvent Models in Computational Homogeneous Catalysis." Topics in Catalysis 65, no. 1-4 (2021): 118–40. http://dx.doi.org/10.1007/s11244-021-01520-2.

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AbstractIn homogeneous catalysis solvent is an inherent part of the catalytic system. As such, it must be considered in the computational modeling. The most common approach to include solvent effects in quantum mechanical calculations is by means of continuum solvent models. When they are properly used, average solvent effects are efficiently captured, mainly those related with solvent polarity. However, neglecting atomistic description of solvent molecules has its limitations, and continuum solvent models all alone cannot be applied to whatever situation. In many cases, inclusion of explicit
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38

Maheshwari, R. K., Shruti Jain, Anjali Padria, Pawan Mulani, Jaydeep Singh Baghel, and Neelesh Maheshwari. "''Eco-friendly extraction using solids'' - A novel application of mixed solvency concept." Journal of Drug Delivery and Therapeutics 9, no. 2 (2019): 244–49. http://dx.doi.org/10.22270/jddt.v9i2.2409.

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As per the mixed solvency concept (proposed by Dr. R.K. Maheshwari), each and every substance present on the earth has got solubilizing property i.e. all the liquids, gases and solids possess solubilizing power. In the mixed solvency concept, each substance is a solubilizer. We know that all the liquids (matter in liquid state at room temperature) are known as solvents. No solvent is universal solvent. We can say that all the solvents are good solvents for some solutes and bad solvents for other solutes. Similarly, all gases and solids have good solubilizing power for some solutes and bad solu
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Shabani, Mohsen, Majid Monajjemi, and Hossein Aghai. "Solvent Effects on the Internal Rotation Barrier around the C–N Bond and 14N NMR Shielding of 2-Amino-3-Mercapto Propionamide: Continuous Set of Gauge Transformation Calculations using a Polarisable Continuum Model." Journal of Chemical Research 2003, no. 5 (2003): 249–51. http://dx.doi.org/10.3184/030823403103173840.

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Solvent effects on rotational barriers of 2-amino-3-mercapto-propionamide, an amide derived from cysteine, have been investigated at HF and MP2 levels of theory using a polarisable continuum model (PCM) of solvent. The predicted barrier in the gas phase increases by increasing the polarity of solvents. It was shown that the observed solvent-induced shielding variation is more strongly related to the intensity of the solvent reaction field rather than to the change of molecular geometry induced by the solvent.
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40

Brooks, Charles L., and Martin Karplus. "Solvent effects on protein motion and protein effects on solvent motion." Journal of Molecular Biology 208, no. 1 (1989): 159–81. http://dx.doi.org/10.1016/0022-2836(89)90093-4.

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41

Ali, Noha Muhsin, and Tariq Mohammed Naife. "Deasphalting of Atmospheric Iraqi Residue using Different Solvents." Journal of Engineering 27, no. 5 (2021): 17–27. http://dx.doi.org/10.31026/j.eng.2021.05.02.

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Different solvents (light naphtha, n-heptane, and n-hexane) are used to treat Iraqi Atmospheric oil residue by the deasphalting process. Oil residue from Al-Dura refinery with specific gravity 0.9705, API 14.9, and 0.5 wt. % sulfur content was used. Deasphalting oil (DAO) was examined on a laboratory scale by using solvents with different operation conditions (temperature, concentration of solvent, solvent to oil ratio, and duration time). This study investigates the effects of these parameters on asphaltene yield. The results show that an increase in temperature for all solvents increases the
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42

El Seoud, Omar A., Shirley Possidonio, and Naved I. Malek. "Solvatochromism in Solvent Mixtures: A Practical Solution for a Complex Problem." Liquids 4, no. 1 (2024): 73–94. http://dx.doi.org/10.3390/liquids4010003.

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Many reactions are carried out in solvent mixtures, mainly because of practical reasons. For example, E2 eliminations are favored over SN2 substitutions in aqueous organic solvents because the bases are desolvated. This example raises the question: how do we chose binary solvents to favor reaction outcomes? This important question is deceptively simple because it requires that we understand the details of all interactions within the system. Solvatochromism (solvent-dependent color change of a substance) has contributed a great deal to answer this difficult question, because it gives informatio
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43

Arakawa, Tsutomu, and Yoshiko Kita. "Protein Solvent Interaction: Transition of Protein-solvent Interaction Concept from Basic Research into Solvent Manipulation of Chromatography." Current Protein & Peptide Science 20, no. 1 (2018): 34–39. http://dx.doi.org/10.2174/1389203718666171024121529.

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Previously, we have reviewed in this journal (Arakawa, T., Kita, Y., Curr. Protein Pept. Sci., 15, 608-620, 2014) the interaction of arginine with proteins and various applications of this solvent additive in the area of protein formulations and downstream processes. In this special issue, we expand the concept of protein-solvent interaction into the analysis of the effects of solvent additives on various column chromatography, including mixed-mode chromatography. Earlier in our research, we have studied the interactions of such a variety of solvent additives as sugars, salts, amino acids, pol
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Mahawar, Pooja, Anushka Jangid, Yadvendra Singh, and Ammilal Rao. "Kinetic and Mechanistic Study of the Oxidation of Some Para-substituted Benzhydrols by Cetyltrimethylammonium Bromochromate using Spectrophotometric Technique." Indian Journal Of Science And Technology 17, no. 45 (2024): 4798–807. https://doi.org/10.17485/ijst/v17i45.3210.

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Objectives: This study investigates the oxidation of para-substituted benzhydrols by cetyltrimethylammonium bromochromate (CTMABC) in dimethylsulfoxide (DMSO), aiming to elucidate the reaction kinetics and solvent effects. Methods: The oxidation was carried out under pseudo-first-order conditions, showing first-order kinetics for both CTMABC and benzhydrols. The role of hydrogen ions in catalysis was examined, and the reaction was analyzed in 19 different organic solvents. Solvent effects were quantified using Kamlet’s and Swain’s multi-parametric equations. Findings: The reaction produced the
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da Silva, Guilherme C. Q., Thiago M. Cardozo, Giovanni W. Amarante, Charlles R. A. Abreu, and Bruno A. C. Horta. "Solvent effects on the decarboxylation of trichloroacetic acid: insights from ab initio molecular dynamics simulations." Physical Chemistry Chemical Physics 20, no. 34 (2018): 21988–98. http://dx.doi.org/10.1039/c8cp02455c.

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Fuente, A., and B. McPherson. "<p>Organic solvents and hearing loss: The challenge for audiology</p>." Community Ear and Hearing Health 3, no. 4 (2006): 8. http://dx.doi.org/10.56920/cehh.189.

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Organic solvents have been reported to adversely affect human health, including hearing health. Animal models have demonstrated that solvents may induce auditory damage, especially to the outer hair cells. Research on workers exposed to solvents has suggested that these chemicals may also induce auditory damage through effects on the central auditory pathways. Studies conducted with both animals and humans demonstrate that the hearing frequencies affected by solvent exposure are different to those affected by noise, and that solvents may interact synergistically with noise. The present article
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Iwase, M., N. Kurata, R. Ehana, Y. Nishimura, T. Masamoto, and H. Yasuhara. "Evaluation of the effects of hydrophilic organic solvents on CYP3A-mediated drug-drug interaction in vitro." Human & Experimental Toxicology 25, no. 12 (2006): 715–21. http://dx.doi.org/10.1177/0960327106071979.

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This study evaluated the effects of the commonly used hydrophilic organic solvents, acetonitrile, methanol, ethanol, 1-propanol, dimethyl sulfoxide (DMSO), N,N-dimethylformamide, polyethylene glycol and propylene glycol, on CYP3A in pooled human liver microsomes, using testosterone and midazolam as substrates. Furthermore, we examined the modulation effect of organic solvents on CYP3A inhibition by ketoconazole. Testosterone 6b-hydroxylation activity was potently inhibited in the presence of DMSO and 1-propanol in a concentration-dependent manner. Midazolam 1'-hydroxylation activity, however,
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Bekárek, Vojtěch, Jan Jílek, and Antonín Haviger. "Effect of Medium on the Electronic Spectra of 2-Nitroaniline Derivatives." Collection of Czechoslovak Chemical Communications 61, no. 1 (1996): 155–59. http://dx.doi.org/10.1135/cccc19960155.

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The wavenumbers of the long-wavelength absorption band were measured for nine 4-substituted and 5-substituted derivatives of 2-nitroaniline in the gaseous state and in 13 solvents where only nonspecific solvent-solute interactions can be expected. For the series involving all the solvents used, the solvent effects can be well expressed by an one-parameter equation involving the product of the Born functions of the relative permittivity and of the refractive index of the solvent. For the series involving the nonpolar solvents and the gaseous state only, this equation reduces to an one-parameter
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Suppan, Paul. "Medium Effects in Photoinduced Electron Transfer Reactions." CHIMIA 42, no. 10 (1988): 320. https://doi.org/10.2533/chimia.1988.320.

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The transfer of an electron between two molecules is a fundamental chemical process of great significance in biochemistry as well as in general chemistry. Electron transfer reactions can be induced by the absorption of light – as in photosynthesis – so that one of the molecules reacts through an electronically excited state; a net storage of chemical energy may then take place. When electron transfer involves molecules in condensed phase, the role of the liquid or solid medium must be considered. In the first place, a polar solvent may promote electron transfer through the stabilization of ion
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Aljuboori, Sahar Balkat, Nedaa Abdulhameed Abdulrahim, Shuhad Yassen, and Heba Hashim Khaleel. "Organic Synthesis under Solvent-free Condition (Green Chemistry): A Mini Literature Review." Al-Rafidain Journal of Medical Sciences ( ISSN: 2789-3219 ) 3 (December 17, 2022): 109–15. http://dx.doi.org/10.54133/ajms.v3i.94.

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Solvents are important components in the pharmaceutical and chemical industries, and they are increasingly being used in catalytic reactions. Solvents have a significant influence on the kinetics and thermodynamics of reactions, and they can significantly change product selectivity. Solvents can influence product selectivity, conversion rates, and reaction rates. However, solvents have received a lot of attention in the field of green chemistry. This is due to the large amount of solvent that is frequently used in a process or formulation, particularly during the purification steps. However, n
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