Abstract:
:We investigate the effects of two structurally similar small cyclic molecules: salicylic acid and perillic acid on a zwitterionic model lipid bilayer, and show that both molecules might have biological activity related to membrane thinning. Salicylic acid is a nonsteroidal antiinflammatory drug, some of the pharmacological properties of which arise from its interaction with the lipid bilayer component of the plasma membrane. Prior simulations show that salicylate orders zwitterionic lipid membranes. However, this is in conflict with Raman scattering and vesicle fluctuation analysis data, which suggest the opposite. We show using extensive molecular dynamics simulations, cumulatively >2.5 μs, that salicylic acid indeed disorders membranes with concomitant membrane thinning and that the conflict arose because prior simulations suffered from artifacts related to the sodium-ion induced condensation of zwitterionic lipids modeled by the Berger force field. Perillic acid is a terpenoid plant extract that has antiinfective and anticancer properties, and is extensively used in eastern medicine. We found that perillic acid causes large-scale membrane thinning and could therefore exert its antimicrobial properties via a membrane-lytic mechanism reminiscent of antimicrobial peptides. Being more amphipathic, perillic acid is more potent in disrupting lipid headgroup packing, and significantly modifies headgroup dipole orientation. Like salicylate, the membrane thinning effect of perillic acid is masked by the presence of sodium ions. As an alternative to sodium cations, we advocate the straightforward solution of using larger countercations like potassium or tetra-methyl-ammonium that will maintain electroneutrality but not interact strongly with, and thus not condense, the lipid bilayer.
journal_name
Biophys Jjournal_title
Biophysical journalauthors
Khandelia H,Witzke S,Mouritsen OGdoi
10.1016/j.bpj.2010.11.009subject
Has Abstractpub_date
2010-12-15 00:00:00pages
3887-94issue
12eissn
0006-3495issn
1542-0086pii
S0006-3495(10)01377-9journal_volume
99pub_type
杂志文章abstract::A general analytical description of the equilibrium and reaction kinetics of DNA multiplex hybridization has been developed. In this approach, multiplex hybridization is considered to be a competitive multichannel reaction process: a system wherein many species can react both specifically and nonspecifically with one ...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1529/biophysj.106.090662
更新日期:2006-12-01 00:00:00
abstract::Using the simple argument based on irreversible thermodynamics and the Gouy-Chapman theory of the double layer, we show that the equilibrium distribution of charged lipid molecules between the two surfaces of a bilayer is asymmetric if the two solutions bathing the surfaces have the same ionic strength but contain ion...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/S0006-3495(77)85629-4
更新日期:1977-02-01 00:00:00
abstract::Coat protein (COP) I and COP II complexes are involved in the transport of proteins between the endoplasmic reticulum and the Golgi apparatus in eukaryotic cells. The formation of COP I/II complexes at membrane surfaces is an early step in vesicle formation and is mastered by p24, a type I transmembrane protein. Oligo...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2019.09.021
更新日期:2019-11-05 00:00:00
abstract::Membrane nanotubes, also known as membrane tethers, play important functional roles in many cellular processes, such as trafficking and signaling. Although considerable progresses have been made in understanding the physics regulating the mechanical behaviors of individual membrane nanotubes, relatively little is know...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2019.01.032
更新日期:2019-03-05 00:00:00
abstract::Dendrites of cerebellar Purkinje cells (PCs) respond to brief excitations from parallel fibers with lasting plateau depolarizations. It is unknown whether these plateaus are local events that boost the synaptic signals or they propagate to the soma and directly take part in setting the cell firing dynamics. To address...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2010.04.056
更新日期:2010-07-21 00:00:00
abstract::The pulling of micropipette electrodes from glass tubing has been treated as a problem of viscous flow coupled with the Newtonian dynamics of the pulling apparatus. Analytical solutions are given from which the taper profile, tip diameter, and pulling time can be obtained. The physical principles of operation of micro...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/S0006-3495(80)85150-2
更新日期:1980-03-01 00:00:00
abstract::The parameters of the immune response dynamics are usually estimated by the use of deterministic ordinary differential equations that relate data trends to parameter values. Since the physical basis of the response is stochastic, we are investigating the intensity of the data fluctuations resulting from the intrinsic ...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1529/biophysj.106.094508
更新日期:2007-05-15 00:00:00
abstract::Molecular chaperones are large proteins or protein complexes from which many proteins require assistance in order to fold. One unique property of molecular chaperones is the cavity they provide in which proteins fold. The interior surface residues which make up the cavities of molecular chaperone complexes from differ...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2012.10.040
更新日期:2012-12-19 00:00:00
abstract::Bistability is a major mechanism for cellular decision making and usually results from positive feedback in biochemical control systems. Here we show theoretically that bistability between unbound and bound states of adhesion clusters results from positive feedback mediated by structural rather than biochemical proces...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1529/biophysj.106.090209
更新日期:2006-09-15 00:00:00
abstract::Thermal stability of proteins is crucial for both biotechnological and therapeutic applications. Rational protein engineering therefore frequently aims at increasing thermal stability by introducing stabilizing mutations. The accurate prediction of the thermodynamic consequences caused by mutations, however, is highly...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2010.01.051
更新日期:2010-05-19 00:00:00
abstract::We describe a puffing method for changing solutions near one surface of lipid bilayers that allows simultaneous measurement of channel activity and extent of solution change at the bilayer surface. Ion adsorption to the lipid headgroups and screening of the bilayer surface charge by mobile ions provided a convenient p...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/S0006-3495(96)79271-8
更新日期:1996-08-01 00:00:00
abstract::Biological membranes composed of lipids and proteins are in contact with electrolytes like aqueous NaCl solutions. Based on molecular dynamics studies it is widely believed that Na(+) ions specifically bind to 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) membranes, whereas Cl(-) ions stay in solution. Here,...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2012.12.056
更新日期:2013-02-19 00:00:00
abstract::The active amplification of sound-induced vibrations in the cochlea, known to be crucial for auditory sensitivity and frequency selectivity, is not well understood. The outer hair cell (OHC) somatic electromotility is a potential mechanism for such amplification. Its effectiveness in vivo is putatively limited by the ...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2011.12.040
更新日期:2012-02-08 00:00:00
abstract::Many biological processes exhibit complex kinetic behavior that involves a nontrivial distribution of rate constants. Characterization of the rate constant distribution is often critical for mechanistic understandings of these processes. However, it is difficult to extract a rate constant distribution from data measur...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1529/biophysj.106.090688
更新日期:2006-12-01 00:00:00
abstract::Employing nonequilibrium molecular dynamics simulations, a comprehensive computational study of the photoinduced conformational dynamics of a photoswitchable bicyclic azobenzene octapeptide is presented. The calculation of time-dependent probability distributions along various global and local reaction coordinates rev...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1529/biophysj.106.084996
更新日期:2006-08-15 00:00:00
abstract::During inflammation, flowing leukocytes tether to and roll on vascular surfaces through the association and dissociation of selectin/ligand bonds. The interactions of P- and L- selectins with their respective ligands exhibit catch-slip bonds, such that increasing force initially prolongs and then shortens bond lifetim...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2010.05.040
更新日期:2010-08-09 00:00:00
abstract::Coupled folding-binding is central to the function of many intrinsically disordered proteins, yet not fully understood. With a continuous three-letter protein model, we explore the free-energy landscape of pairs of interacting sequences and how it is impacted by 1), variations in the binding mechanism; and 2), the add...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2011.12.008
更新日期:2012-02-08 00:00:00
abstract::Thermal inactivation of T(4) and lambda bacteriophage shows two components of differing sensitivity are present. These cannot be interpreted as owing to nucleic acid and protein. One protein function-the inhibition of radiation-induced DNA degradation-is lost with quite different thermal kinetics. lambda heated in the...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/S0006-3495(71)86195-7
更新日期:1971-01-01 00:00:00
abstract::Recent biological optical spectroscopic studies have correlated discrete spectroscopic states with biological function in several systems. One of the challenges of molecular biophysics is to correlate structural changes with these spectroscopic states. From small-angle x-ray scattering one can obtain a key structural ...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/S0006-3495(79)85252-2
更新日期:1979-05-01 00:00:00
abstract::The solutions to a general class of axon partial differential equations proposed by FitzHugh which includes the Hodgkin-Huxley equations are studied. It is shown that solutions to the partial differential equations are exactly the solutions to a related set of integral equations. An iterative procedure for constructin...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/S0006-3495(70)86355-X
更新日期:1970-11-01 00:00:00
abstract::Enveloped viruses must bind to a receptor on the host membrane to initiate infection. Membrane fusion is subsequently initiated by a conformational change in the viral fusion protein, triggered by receptor binding, an environmental change, or both. Here, we present a strategy to disentangle the two processes of recept...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2016.05.048
更新日期:2016-07-12 00:00:00
abstract::Two-dimensional solid-state 31P NMR has been used to investigate the orientational exchange of phospholipids in gel and liquid-crystalline aqueous multilamellar dispersions and oriented multibilayers, and in biological membranes. In liquid-crystalline L alpha multilamellar dispersions, orientational exchange originate...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/S0006-3495(91)82198-1
更新日期:1991-01-01 00:00:00
abstract::Cellular sensory systems often respond not to the absolute levels of inputs but to the fold-changes in inputs. Such a property is called fold-change detection (FCD) and is important for accurately sensing dynamic changes in environmental signals in the presence of fluctuations in their absolute levels. Previous studie...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2013.10.039
更新日期:2014-01-07 00:00:00
abstract::A simple formula for the expansion rate U of the bilayer membrane perimeter was derived by the solution of the hydrodynamic and the Laplace equations at small rates and small contact angles: U = theta delta/6 micron ln (h/e 3/2 h0), where theta is the equilibrium contact angle between the bilayer membrane and the Plat...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/S0006-3495(81)84714-5
更新日期:1981-10-01 00:00:00
abstract::There are several examples of membrane-associated protein domains that target curved membranes. This behavior is believed to have functional significance in a number of essential pathways, such as clathrin-mediated endocytosis, which involve dramatic membrane remodeling and require the recruitment of various cofactors...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2011.01.036
更新日期:2011-03-02 00:00:00
abstract::There is no methodology for the estimation of the dynamic features of large-molecular-weight RNAs in homogeneous physiological media. In this report, a luminescence anisotropy-based method using a long-lifetime luminescent oligonucleotide probe for the estimation of the dynamic features of large-molecular-weight RNA i...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1529/biophysj.105.062455
更新日期:2005-12-01 00:00:00
abstract::In multicellular organisms, single-fluorophore imaging is obstructed by high background. To achieve a signal/noise ratio conducive to single-molecule imaging, we adapted reflected light-sheet microscopy (RLSM) to image highly opaque late-stage Drosophila embryos. Alignment steps were modified by means of commercially ...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2015.12.035
更新日期:2016-02-23 00:00:00
abstract::Films of O-phospho-L-serine-P-ethylester (PSE) were studied by infrared spectroscopy. PSE films were studied pure and as 1:1 mixture with LiOH, NaOH, KOH, and Ca(OH)2 as a function of the degree of hydration. The same investigations were performed if (L-glu)n was added to the system (ratio 1:1, PSE/glu residue). In th...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/S0006-3495(89)82861-9
更新日期:1989-04-01 00:00:00
abstract::Artificial lipidic bilayers are widely used as a model for the lipid matrix in biological cell membranes. We use the Pockels electro-optical effect to investigate the properties of an artificial lipidic membrane doped with nonlinear molecules in the outer layer. We report here what is believed to be the first electro-...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/j.bpj.2009.08.055
更新日期:2009-12-02 00:00:00
abstract::This paper is concerned with the nature of the transmembrane potential induced in an inactive nerve fiber lying in an impressed potential field within a nerve trunk. The impressed potential field is assumed to be produced by the synchronous activity of other fibers within the trunk; an expression for the induced trans...
journal_title:Biophysical journal
pub_type: 杂志文章
doi:10.1016/S0006-3495(71)86214-8
更新日期:1971-03-01 00:00:00