physical chemistry


Summary: The study of CHEMICAL PHENOMENA and processes in terms of the underlying PHYSICAL PHENOMENA and processes.

Top Publications

  1. Coan K, Shoichet B. Stoichiometry and physical chemistry of promiscuous aggregate-based inhibitors. J Am Chem Soc. 2008;130:9606-12 pubmed publisher
    ..Finally, given their size and enzyme stoichiometry, all sequestered enzyme can be comfortably accommodated on the surface of the aggregate. ..
  2. Pursell D. Enhancing interdisciplinary, mathematics, and physical science in an undergraduate life science program through physical chemistry. CBE Life Sci Educ. 2009;8:15-28 pubmed publisher
    ..The Department of Chemistry and Life Science at West Point responded by developing a required physical chemistry course tailored to the interests of life science majors...
  3. Liu M, Amro N, Liu G. Nanografting for surface physical chemistry. Annu Rev Phys Chem. 2008;59:367-86 pubmed
    ..the enabling aspects of nanografting (an atomic force microscopy-based lithography technique) in surface physical chemistry. First, we characterize self-assembled monolayers and multilayers using nanografting to place unknown ..
  4. Wang D, Lee S. Physical chemistry of intestinal absorption of biliary cholesterol in mice. Hepatology. 2008;48:177-85 pubmed publisher
    ..The gallbladder may have a role in regulating cholesterol homeostasis by modulating the physical forms of biliary cholesterol. ..
  5. Hudson N, Ayoko G. Odour sampling 1: Physical chemistry considerations. Bioresour Technol. 2008;99:3982-92 pubmed
    ..Such consideration may identify the most appropriate situations under which the use of these devices may or may not be correct. ..
  6. Tung C, Ho S. Computational identification of ubiquitylation sites from protein sequences. BMC Bioinformatics. 2008;9:310 pubmed publisher
    ..UbiPred has been implemented as a web server and is available at ..
  7. Stegmaier P, Alonso J, Campo A. Photoresponsive surfaces with two independent wavelength-selective functional levels. Langmuir. 2008;24:11872-9 pubmed publisher
    ..The deprotection reaction was confirmed by coupling two different fluorescent dyes to the liberated amine groups. The expected two-color pattern could be observed by fluorescence microscopy. ..
  8. Mikula P, Modra H, Nemethova D, Groch L, Svobodova Z. Effects of subchronic exposure to LASSO MTX (alachlor 42% W/V) on hematological indices and histology of the common Carp, Cyprinus carpio L. Bull Environ Contam Toxicol. 2008;81:475-9 pubmed publisher
    ..In contrast, no influence of the preparation on leucopoiesis was demonstrated, and only slight changes were observed in histopathological indices. ..
  9. Fernández Barbero A, Suárez I, Sierra Martin B, Fernandez Nieves A, de Las Nieves F, Marquez M, et al. Gels and microgels for nanotechnological applications. Adv Colloid Interface Sci. 2009;147-148:88-108 pubmed publisher

More Information


  1. Jiang D, Dinh K, Ruthenburg T, Zhang Y, Su L, Land D, et al. A kinetic model for beta-amyloid adsorption at the air/solution interface and its implication to the beta-amyloid aggregation process. J Phys Chem B. 2009;113:3160-8 pubmed publisher
    ..This general kinetic model should also find applications in adsorption studies of other types of biomolecules whose overall kinetics exhibits a lag phase that is dependent on the bulk concentration of the adsorbate. ..
  2. Farhat A, Ginies C, Romdhane M, Chemat F. Eco-friendly and cleaner process for isolation of essential oil using microwave energy: experimental and theoretical study. J Chromatogr A. 2009;1216:5077-85 pubmed publisher
    ..MSD was better than SD in terms of energy saving, cleanliness and reduced waste water...
  3. Cristina Freire A, Fertig C, Podczeck F, Veiga F, Sousa J. Starch-based coatings for colon-specific drug delivery. Part I: the influence of heat treatment on the physico-chemical properties of high amylose maize starches. Eur J Pharm Biopharm. 2009;72:574-86 pubmed publisher
  4. Sarkar A, Ali M, Baker G, Tetin S, Ruan Q, Pandey S. Multiprobe spectroscopic investigation of molecular-level behavior within aqueous 1-butyl-3-methylimidazolium tetrafluoroborate. J Phys Chem B. 2009;113:3088-98 pubmed publisher
  5. Sui X, Sun J, Li H, Wang Y, Liu J, Liu X, et al. Prediction of volume of distribution values in human using immobilized artificial membrane partitioning coefficients, the fraction of compound ionized and plasma protein binding data. Eur J Med Chem. 2009;44:4455-60 pubmed publisher
    ..Compared to the Lombardeo's and Hollósy's (J. Med. Chem., 2006) methods, our model can be generally applicable with better predictive accuracy. ..
  6. Deák K. [Physico-chemical profiling of centrally acting molecules for prediction of pharmacokinetic properties]. Acta Pharm Hung. 2008;78:110-20 pubmed
    ..Linear relationship has been found between the brain penetration characterized by the logBB values and the delta logP values. The validity of the equation was controlled by the delta logP and the logBB values of sertraline. ..
  7. Radak B, Yockel S, Kim D, Schatz G. Modeling reactive scattering of F(2P) at a liquid squalane interface: a hybrid QM/MM molecular dynamics study. J Phys Chem A. 2009;113:7218-26 pubmed publisher
    ..0 eV, which we also present, show analogous comparisons with experiment, with OH vibrational distributions which are cold and match experiment, while the calculated rotational distributions are dominated by nonthermal behavior. ..
  8. Lal J, Tripathi R, Gupta R. Pharmacokinetics and excretion of the novel anti-tuberculosis compound 1,2:5,6-di-O-isopropylidene-3-O-(phenyl cyclopropyl methanonyl)-alpha-D-glucofuranose (S-001-14) after oral doses in rats. Development of a sensitive and reproducible high perform. Arzneimittelforschung. 2008;58:410-8 pubmed publisher
    ..The excretion study after the 100 mg/kg oral dose revealed that S-001-14 was excreted in urine (0.002 +/- 0.001%) and feces (15.6 +/- 3.5%). ..
  9. Jenkins D, Teruel M, Reyes De Corcuera J, Young O. Simultaneous determination of hydrolysis and mutarotation rates during the enzymatic hydrolysis of lactose. J Agric Food Chem. 2008;56:8303-8 pubmed publisher
    ..This approach may also be important for the accurate determination of a variety of oligosaccharides such as glycogen, which tend to be composed primarily of one stereoisomer. ..
  10. Carroll W, Pellechia P, Shimizu K. A rigid molecular balance for measuring face-to-face arene-arene interactions. Org Lett. 2008;10:3547-50 pubmed publisher
    ..Measurement of the folded to unfolded ratio yields accurate values for the arene-arene interaction in a range of different solvents. ..
  11. Sharma M, Komiyama M, Engstrom J. Observation from scanning tunneling microscopy of a striped phase for octanethiol adsorbed on Au(111) from solution. Langmuir. 2008;24:9937-40 pubmed publisher
    ..We discuss the nature of this structure with respect to those that have been observed for other n-alkanethiols. ..
  12. Bastos D, Araújo K, Leão M. Ascorbic acid retaining using a new calcium alginate-Capsul based edible film. J Microencapsul. 2009;26:97-103 pubmed
    ..The results of the microscopy revealed a cohesive matrix in the new edible films. These results support the utilization of the new pellicle to protect ingredients, although more studies are necessary. ..
  13. Reszat T, Hendry M. Migration of colloids through nonfractured clay-rich aquitards. Environ Sci Technol. 2009;43:5640-6 pubmed
    ..2 nm and that measuring the diameter of dissolved organic carbon from nonfractured clay-rich aquitards may be an effective method to estimate effective pore throat diameters of these media. ..
  14. Gu X, Kaiser R. Reaction dynamics of phenyl radicals in extreme environments: a crossed molecular beam study. Acc Chem Res. 2009;42:290-302 pubmed publisher
    ..Future experiments at lower collision energies may enhance the lifetimes of the reaction intermediates, which could open up competing ring closure channels to form bicyclic reaction products. ..
  15. Park J, Kim R, Cho N, Shim H, Lee K. Enhanced emission and two-photon absorption cross-section by nanoaggregation of a cyano-substituted stilbene derivative. J Nanosci Nanotechnol. 2008;8:4793-6 pubmed
    ..Also, the two-photon absorption cross-section of nanoaggregates has been increased 1.5 times compared to that in DMF solution at the maximum wavelength. ..
  16. Oliveira Costa S, Fernandez Romero A, Lopez Cascales J. Physicochemical study of the acetonitrile insertion into polypyrrole films. J Chem Phys. 2010;132:144702 pubmed publisher
  17. Kjelstrup S, Rubi J, Bedeaux D. Energy dissipation in slipping biological pumps. Phys Chem Chem Phys. 2005;7:4009-18 pubmed
    ..This can give a quantitative description of thermogenesis. We show by calculation that all of these coupling coefficients are significant. ..
  18. Tandy S, Healey J, Nason M, Williamson J, Jones D. Remediation of metal polluted mine soil with compost: co-composting versus incorporation. Environ Pollut. 2009;157:690-7 pubmed publisher
    ..Both treatments promoted plant growth and reduced metal accumulation in plants. We conclude that co-composting provides little additional benefit for remediating trace-element-polluted soil compared with incorporation of compost. ..
  19. Sohng J, Yamaguchi T, Seong C, Baik K, Park S, Lee H, et al. Production, isolation and biological activity of nargenicin from Nocardia sp. CS682. Arch Pharm Res. 2008;31:1339-45 pubmed publisher
    ..7% sequence similarity), followed by N. brasiliensis ATCC 19296(T) (98.4% sequence similarity). The ability of Nocardia sp. CS682 to produce nargenicin was unique. ..
  20. McConnell H. Adventures in physical chemistry. Annu Rev Biophys. 2010;39:1-21 pubmed publisher
    ..In the area of immunology, it was shown that antigenic peptides bind to reconstituted class II MHC molecules in membranes and trigger specific T-helper cells. ..
  21. Fakih S, Podinovskaia M, Kong X, Collins H, Schaible U, Hider R. Targeting the lysosome: fluorescent iron(III) chelators to selectively monitor endosomal/lysosomal labile iron pools. J Med Chem. 2008;51:4539-52 pubmed publisher
    ..The probes represent a powerful class of sensors for quantitative iron detection and clinical real-time monitoring of subcellular labile iron levels in health and disease. ..
  22. Yang J, Yang Z, Chen C, Yao D. Conversion of surface energy and manipulation of a single droplet across micropatterned surfaces. Langmuir. 2008;24:9889-97 pubmed publisher
    ..76. The effective rate of energy conversion is estimated to be 20.6%. ..
  23. Sun H, Ding Y, Duan J, Zhang Q, Wang Z, Lou H, et al. Transesterification of sunflower oil to biodiesel on ZrO2 supported La2O3 catalyst. Bioresour Technol. 2010;101:953-8 pubmed publisher
    ..Besides, the influence of various reaction variables on the conversion was investigated. ..
  24. Barbero C. Ion exchange at the electrode/electrolyte interface studied by probe beam deflection techniques. Phys Chem Chem Phys. 2005;7:1885-99 pubmed
    ..The capability of the techniques to perform fast measurements was also used with success to find out kinetic effects on the ion exchange. ..
  25. Jiang X, Zuber A, Heberle J, Ataka K. In situ monitoring of the orientated assembly of strep-tagged membrane proteins on the gold surface by surface enhanced infrared absorption spectroscopy. Phys Chem Chem Phys. 2008;10:6381-7 pubmed publisher
    ..The specificity of strep-tagged ecgltP to the streptavidin layer is with 60% only modest. Nevertheless, the streptavidin/biotin interlayer reveals a higher regeneration propensity than the His-tag/Ni-NTA interlayer. ..
  26. Ramírez González M. Drug administration is an essential clinical competence. Proc West Pharmacol Soc. 2007;50:174-80 pubmed
    ..These issues are obviously related to therapeutic outcome but their integrated articulation occurs only if drug administration is considered as an essential clinical competence. ..
  27. Marfil R, Cabrera Vique C, Gimenez R, Bouzas P, Martinez O, Sánchez J. Metal content and physicochemical parameters used as quality criteria in virgin argan oil: influence of the extraction method. J Agric Food Chem. 2008;56:7279-84 pubmed publisher
    ..A high variability in these quality parameters and a decrease of the quality in the oils obtained by the traditional method were observed...
  28. Kassal I, Jordan S, Love P, Mohseni M, ASPURU GUZIK A. Polynomial-time quantum algorithm for the simulation of chemical dynamics. Proc Natl Acad Sci U S A. 2008;105:18681-6 pubmed publisher
    ..Quantum computers using these techniques could outperform current classical computers with 100 qubits. ..
  29. Mitchell S, Steventon G, Waring R. Metabolic fate of phenothiazine in the marmoset (Callithrix jacchus). Drug Metabol Drug Interact. 2009;24:137-51 pubmed
    ..Smaller amounts of phenothiazone, thionol, phenothiazine sulphoxide and unchanged phenothiazine were also identified. The only compound identified in the faeces was unchanged phenothiazine. ..
  30. Kline T, Chen G, Walker S. Colloidal deposition on remotely controlled charged micropatterned surfaces in a parallel-plate flow chamber. Langmuir. 2008;24:9381-5 pubmed publisher
    ..Specifically, we propose that colloidal particles respond to local variations in surface potential through electrostatic interactions, altering particle streamlines flowing along the surface and ultimately the extent of deposition. ..
  31. Santipanichwong R, Suphantharika M, Weiss J, McClements D. Core-shell biopolymer nanoparticles produced by electrostatic deposition of beet pectin onto heat-denatured beta-lactoglobulin aggregates. J Food Sci. 2008;73:N23-30 pubmed
    ..The core-shell biopolymer particles prepared in this study may be useful for encapsulation and delivery of bioactive food components or as substitutes for lipid droplets. ..
  32. Wang Y, Zhang L. On the chemo-mechanical polishing for nano-scale surface finish of brittle wafers. Recent Pat Nanotechnol. 2010;4:70-7 pubmed
    ..The paper concluded that the usage of mix- or coated- abrasives may improve the CMP in terms of less subsurface damage and higher material removal rate. ..
  33. Guo X, Xiang D, Duan G, Mou P. A review of mechanochemistry applications in waste management. Waste Manag. 2010;30:4-10 pubmed publisher
    ..Besides, the waste plastics and rubbers, which are usually very difficult to be recycled, can also be recycled by mechanochemical technology. ..
  34. Graziano G. Salting out of methane by sodium chloride: A scaled particle theory study. J Chem Phys. 2008;129:084506 pubmed publisher
    ..There is no need to take into account the H-bond rearrangement because it is characterized by an almost complete enthalpy-entropy compensation. ..
  35. Iinuma Y, Böge O, Kahnt A, Herrmann H. Laboratory chamber studies on the formation of organosulfates from reactive uptake of monoterpene oxides. Phys Chem Chem Phys. 2009;11:7985-97 pubmed publisher
  36. Xu L, Han G, Hu J, He Y, Pan J, Li Y, et al. Hydrophobic coating- and surface active solvent-mediated self-assembly of charged gold and silver nanoparticles at water-air and water-oil interfaces. Phys Chem Chem Phys. 2009;11:6490-7 pubmed publisher
    ..Hydrophobic coatings and organic solvents consequently decrease the sorption barrier, facilitate nanoparticles overcoming the sorption barrier, and mediate the self-assembly of nanoparticles. ..
  37. Baleani M, Bialoblocka Juszczyk E, Engels G, Viceconti M. The effect of vacuum mixing and pre-heating the femoral component on the mechanical properties of the cement mantle. J Bone Joint Surg Br. 2010;92:454-60 pubmed publisher
    ..Pre-heating the stem appears to be an effective way of improving the quality of the cement mantle, which might enhance the long-term performance of bone cement, especially when combined with vacuum mixing. ..
  38. Uyama M, Nakano M, Yamashita J, Handa T. Useful modified cellulose polymers as new emulsifiers of cubosomes. Langmuir. 2009;25:4336-8 pubmed publisher
    ..Cubosomes prepared with HPMCAS showed roughly equal stability as nanoparticles with Pluronic F127. These results suggest that HPMCAS can be a novel emulsifier of cubosomes, which brings about no internal structure modification. ..
  39. Starikov E, Norden B. Physical rationale behind the nonlinear enthalpy-entropy compensation in DNA duplex stability. J Phys Chem B. 2009;113:4698-707 pubmed publisher
    ..Applicability of each of the approximation levels involved is discussed. ..
  40. Di Leonardo R, Ianni F, Ruocco G. Colloidal attraction induced by a temperature gradient. Langmuir. 2009;25:4247-50 pubmed publisher
    ..We used optical tweezers to measure the force law directly and compare it to an analytical prediction based on Stokes flow driven by Marangoni-like forces. ..
  41. El Banna T, Abd Aziz A, Abou Dobara M, Ibrahim R. Production and immobilization of alpha-amylase from Bacillus subtilis. Pak J Biol Sci. 2007;10:2039-47 pubmed
    ..Both of Km values and Vmax and thermal stability of immobilized enzyme were found to be higher than that of free one. Among the tested metals CaCl2 exerted a stimulating effect on the activity of alpha-amylase. ..
  42. May J, Sharif N, Chen H, Liao J, Kelly C, Glennon R, et al. Pharmacological properties and discriminative stimulus effects of a novel and selective 5-HT2 receptor agonist AL-38022A [(S)-2-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)-1-methylethylamine]. Pharmacol Biochem Behav. 2009;91:307-14 pubmed publisher
    ..The pharmacological profile of AL-38022A suggests that it could be a useful tool in defining 5-HT2 receptor signaling and receptor characterization where 5-HT may function as a neurotransmitter. ..
  43. Xu H, Zhang J, Wang Y, Li L. [QSPR studies on the physicochemical properties of polybrominated diphenyl ethers using theoretical descriptors derived from electrostatic potentials on molecular Surface]. Huan Jing Ke Xue. 2008;29:398-408 pubmed
    ..1020, respectively, for these three models. This reveals that all these models have high predictive capabilities. The molecular electrostatic potentials are proved to have the general applicability in QSPR model of PBDE congeners. ..
  44. Yethiraj A. Liquid state theory of polyelectrolyte solutions. J Phys Chem B. 2009;113:1539-51 pubmed publisher
    ..molecular modeling of polyelectrolyte solutions is considered one of the grand challenges of condensed phase physical chemistry. There have been many advances in our understanding of these systems, and the insight obtained from liquid ..
  45. Chen C, Li W. Diffusion controlled ice growth with soft impingement inside biological cells during freezing. Cryo Letters. 2008;29:371-81 pubmed
    ..1. ..
  46. Fraga M, Laux M, Dos Santos G, Zandoná B, Dos Santos Giuberti C, de Oliveira M, et al. Evaluation of the toxicity of oligonucleotide/cationic nanoemulsion complexes on Hep G2 cells through MTT assay. Pharmazie. 2008;63:667-70 pubmed
    ..The IC50 was approximately 200 microg/ml. Such results open interesting perspectives on the use of these nanoemulsions as oligonucleotide delivery systems for Hep G2 cells. ..
  47. Ratnayake W, Jackson D. Starch gelatinization. Adv Food Nutr Res. 2009;55:221-68 pubmed publisher
    ..This chapter analyzes several published theories and summarizes our current understanding of the starch gelatinization process. ..
  48. van de Waterbeemd H. Improving compound quality through in vitro and in silico physicochemical profiling. Chem Biodivers. 2009;6:1760-6 pubmed publisher
    ..for attrition have been widely studied which resulted in more early attention to compound quality related to physical chemistry, drug metabolism and pharmacokinetics (DMPK), and toxicology/safety...
  49. Amat M, Rutledge G. Liquid-vapor equilibria and interfacial properties of n-alkanes and perfluoroalkanes by molecular simulation. J Chem Phys. 2010;132:114704 pubmed publisher
  50. Baruah B, Swafford L, Crans D, Levinger N. Do probe molecules influence water in confinement?. J Phys Chem B. 2008;112:10158-64 pubmed publisher
    ..These measurements demonstrate the dramatic differences possible for water environments in confined spaces. ..
  51. Farroni A, Matiacevich S, Guerrero S, Alzamora S, del Pilar Buera M. Multi-level approach for the analysis of water effects in corn flakes. J Agric Food Chem. 2008;56:6447-53 pubmed publisher
  52. Sakauchi S, Hattori M, Yoshida T, Yagishita T, Ito K, Akemitsu S, et al. Thermal behavior of potato starch and water-vaporization behavior of its paste controlled with amino acid and peptide-rich food materials. J Food Sci. 2010;75:C177-83 pubmed publisher
    ..APRM with high-charged amino acid content could provide an improved paste having easy vaporization of external water in the swollen starch granules due to the reduced swelling. ..
  53. Van Eerdenbrugh B, Froyen L, Van Humbeeck J, Martens J, Augustijns P, Van den Mooter G. Drying of crystalline drug nanosuspensions-the importance of surface hydrophobicity on dissolution behavior upon redispersion. Eur J Pharm Sci. 2008;35:127-35 pubmed publisher
    ..It was found that compounds with a more hydrophobic surface resulted in agglomerates which were harder to disintegrate, for which dissolution was compromised upon drying. The same was found for compounds having higher logP values. ..