Analysis of complex molecular systems: The impact of multivariate analysis for resolving the interactions of small molecules with biopolymers - a review

This review is focused on the impact of chemometrics for resolving data sets collected from investigations of the interactions of small molecules with biopolymers. These samples have been analyzed with various instrumental techniques, such as fluorescence, ultraviolet–visible spectroscopy, and voltammetry. The impact of two powerful and demonstrably useful multivariate methods for resolution of complex data—multivariate curve resolution–alternating least squares (MCR–ALS) and parallel factor analysis (PARAFAC)—is highlighted through analysis of applications involving the interactions of small molecules with the biopolymers, serum albumin, and deoxyribonucleic acid. The outcomes illustrated that significant information extracted by the chemometric methods was unattainable by simple, univariate data analysis. In addition, although the techniques used to collect data were confined to ultraviolet–visible spectroscopy, fluorescence spectroscopy, circular dichroism, and voltammetry, data profiles produced by other techniques may also be processed. Topics considered including binding sites and modes, cooperative and competitive small molecule binding, kinetics, and thermodynamics of ligand binding, and the folding and unfolding of biopolymers. Applications of the MCR–ALS and PARAFAC methods reviewed were primarily published between 2008 and 2013.

Non-Newtonian mixed convection flow from a horizontal circular cylinder with uniform surface heat flux

Mixed convection laminar two-dimensional boundary-layer flow of non-Newtonian pseudo-plastic fluids is investigated from a horizontal circular cylinder with uniform surface heat flux using a modified power-law viscosity model, that contains no unrealistic limits of zero or infinite viscosity; consequently, no irremovable singularities are introduced into boundary-layer formulations for such fluids. The governing boundary layer equations are transformed into a non-dimensional form and the resulting nonlinear systems of partial differential equations are solved numerically applying marching order implicit finite difference method with double sweep technique. Numerical results are presented for the case of shear-thinning fluids in terms of the fluid temperature distributions, rate of heat transfer in terms of the local Nusselt number.

Chiral molecular self-assembly of phospholipid tubules: A circular dichroism study

We report on spectroscopic studies of the chiral structure in phospholipid tubules formed in mixtures of alcohol and water. Synthetic phospholipids containing diacetylenic moieties in the acyl chains self-assemble into hollow, cylindrical tubules in appropriate conditions. Circular dichroism provides a direct measure of chirality of the molecular structure. We find that the CD spectra of tubules formed in mixtures of alcohol and water depends strongly on the alcohol used and the lipid concentration. The relative spectral intensity of different circular dichroism bands correlates with the number of bilayers observed using microscopy. The results provide experimental evidence that tubule formation is based on chiral packing of the lipid molecules and that interbilayer interactions are important to the tubule structure

Mixed Convection Boundary Layer Flow Past a Horizontal Circular Cylinder Embedded in a Bidisperse Porous Medium

Adopting a two-temperature and two-velocity model, appropriate to a bidisperse porous medium (BDPM) proposed by Nield and Kuznetsov (2008), the classical steady, mixed convection boundary layer flow about a horizontal, isothermal circular cylinder embedded in a porous medium has been theoretically studied in this article. It is shown that the boundary layer analysis leads to expressions for the flow and heat transfer characteristics in terms of an inter-phase momentum parameter, a thermal diffusivity ratio, a thermal conductivity ratio, a permeability ratio, a modified thermal capacity ratio, and a buoyancy or mixed convection parameter. The transformed partial differential equations governing the flow and heat transfer in the f-phase (the macro-pores) and the p-phase (the remainder of the structure) are solved numerically using a very efficient implicit finite-difference technique known as Keller-box method. A good agreement is observed between the present results and those known from the open literature in the special case of a traditional Darcy formulation (monodisperse system).

Bearing capacity of circular footing on geocell-sand mattress overlying clay bed with void

The potential benefits of providing geocell reinforced sand mattress over clay subgrade with void have been investigated through a series of laboratory scale model tests. The parameters varied in the test programme include, thickness of unreinforced sand layer above clay bed, width and height of geocell mattress, relative density of the sand fill in the geocells, and influence of an additional layer of planar geogrid placed at the base of the geocell mattress. The test results indicate that substantial improvement in performance can be obtained with the provision of geocell mattress, of adequate size, over the clay subgrade with void. In order to have beneficial effect, the geocell mattress must spread beyond the void at least a distance equal to the diameter of the void. The influence of the void over the performance of the footing reduces for height of geocell mattress greater than 1.8 times the diameter of the footing. Better improvement in performance is obtained for geocells filled with dense soil. (C) 2008 Elsevier Ltd. All rights reserved.

Broadband Suspended Microstrip Antenna For Circular Polarization

In this paper we propose a circularly polarized (CP) microstrip antenna on a suspended substrate with a coplanar capacitive feed and a slot within the rectangular patch. The antenna has an axial ratio bandwidth (< 3 dB) of 7.1%. The proposed antenna exhibits a much higher impedance bandwidth of about 49% (S11 < -10 dB) and also yields return loss better than -15 dB in the useful range of circular polarization. Measured characteristics of the antenna are in good agreement with the simulated results. The radiation patterns indicate good cross polarization rejection and low back lobe radiations. The design proposed here can be scaled to any frequency of interest.

Simplified dispersion curves for circular cylindrical shells using shallow shell theory.

An alternative derivation of the dispersion relation for the transverse vibration of a circular cylindrical shell is presented. The use of the shallow shell theory model leads to a simpler derivation of the same result. Further, the applicability of the dispersion relation is extended to the axisymmetric mode and the high frequency beam mode.

The non-literary Latin letters. A study of their syntax and pragmatics

This dissertation studies the language of Latin letters that were written in Egypt and Vindolanda (in northern Britain) during the period 1st century BC 3rd century AD on papyri, ostraca, and wooden tablets. The majority of the texts is, in one way or another, connected with the Roman army. The focus of the study is on syntax and pragmatics. Besides traditional philological methods, modern syntactic theory is used as well, especially in the pragmatic analysis. The study begins with a critical survey of certain concepts that are current in the research on the Latin language, most importantly the concept of vulgar Latin , which, it is argued, seems to be used as an abstract noun for variation and change in Latin . Further, it is necessary to treat even the non-literary material primarily as written texts and not as straightforward reflections of spoken language. An examination of letter phraseology shows that there is considerable variation between the two major geographical areas of provenance. Latin letter writing in Egypt was influenced by Greek. The study highlights the importance of seeing the letters as a text type, with recurring phraseological elements appearing in the body text as well. It is argued that recognising these elements is essential for the correct analysis of the syntax. Three areas of syntax are discussed in detail: sentence connection (mainly parataxis), syntactically incoherent structures and word order (the order of the object and the verb). For certain types of sentence connection we may plausibly posit an origin in spoken Latin, but for many other linguistic phenomena attested in this material the issue of spoken Latin is anything but simple. Concerning the study of historical syntax, the letters offer information about the changing status of the accusative case. Incoherent structures may reflect contaminations in spoken language but usually the reason for them is the inability of the writer to put his thoughts into writing, especially when there is something more complicated to be expressed. Many incoherent expressions reflect the need to start the predication with a thematic constituent. Latin word order is seen as resulting from an interaction of syntactic and pragmatic factors. The preference for an order where the topic is placed sentence-initially can be seen in word order more generally as well. Furthermore, there appears a difference between Egypt and Vindolanda. The letters from Vindolanda show the order O(bject) V(erb) clearly more often than the letters from Egypt. Interestingly, this difference correlates with another, namely the use of the anaphoric pronoun is. This is an interesting observation in view of the fact that both of these are traditional Latin features, as opposed to those that foreshadow the Romance development (VO order and use of the anaphoric ille). However, it is difficult to say whether this is an indication of social or regional variation.

Bending Of Circular Plate On Elastic-Foundation

The governing differential equation of linear, elastic, thin, circular plate of uniform thickness, subjected to uniformly distributed load and resting on Winkler-Pasternak type foundation is solved using ``Chebyshev Polynomials''. Analysis is carried out using Lenczos' technique, both for simply supported and clamped plates. Numerical results thus obtained by perturbing the differential equation for plates without foundation are compared and are found to be in good agreement with the available results. The effect of foundation on central deflection of the plate is shown in the form of graphs.

Language and Letters of the Bluestocking Network : Sociolinguistic Issues in Eighteenth Century Epistolary English

This study deals with language change and variation in the correspondence of the eighteenth-century Bluestocking circle, a social network which provided learned men and women with an informal environment for the pursuit of scholarly entertainment. Elizabeth Montagu (1718 1800), a notable social hostess and a Shakespearean scholar, was one of their key figures. The study presents the reconstruction of Elizabeth Montagu s social networks from her youth to her later years with a special focus on the Bluestocking circle, and linguistic research on private correspondence between Montagu and her Bluestocking friends and family members between the years 1738 1778. The epistolary language use is investigated using the methods and frameworks of corpus linguistics, historical sociolinguistics, and social network analysis. The approach is diachronic and concerns real-time language change. The research is based on a selection of manuscript letters which I have edited and compiled into an electronic corpus (Bluestocking Corpus). I have also devised a network strength scale in order to quantify the strength of network ties and to compare the results of the linguistic research with the network analysis. The studies range from the reconstruction and analysis of Elizabeth Montagu s most prominent social networks to the analysis of changing morphosyntactic features and spelling variation in Montagu s and her network members correspondence. The linguistic studies look at the use of the progressive construction, preposition stranding and pied piping, and spelling variation in terms of preterite and past participle endings in the regular paradigm (-ed, - d, -d, - t, -t) and full / contracted spellings of auxiliary verbs. The results are analysed in terms of social network membership, sociolinguistic variables of the correspondents, and, when relevant, aspects of eighteenth-century linguistic prescriptivism. The studies showed a slight diachronic increase in the use of the progressive, a significant decrease of the stigmatised preposition stranding and increase of pied piping, and relatively informal but socially controlled epistolary spelling. Certain significant changes in Elizabeth Montagu s language use over the years could be attributed to her increasingly prominent social standing and the changes in her social networks, and the strength of ties correlated strongly with the use of the progressive in the Bluestocking Corpus. Gender, social rank, and register in terms of kinship/friendship had a significant influence in language use, and an effect of prescriptivism could also be detected. Elizabeth Montagu s network ties resulted in language variation in terms of network membership, her own position in a given network, and the social factors that controlled eighteenth-century interaction. When all the network ties are strong, linguistic variation seems to be essentially linked to the social variables of the informants.

Productivity of the suffixes -ness and -ity in 17th-century English letters : A sociolinguistic approach

Tässä työssä tutkitaan englannin kielen substantiivijohtimien -ness ja -ity produktiivisuutta 1600-luvulla kirjoitetuissa kirjeissä. Näitä lähes synonyymisiä johtimia käytetään yleensä merkitykseltään abstraktien substantiivien muodostamiseen adjektiiveista (esim. productive 'produktiivinen' > productiveness tai productivity 'produktiivisuus'). Johtimista -ity on lainautunut englantiin ranskasta ja myöhemmin myös latinasta; se on sekä fonologialtaan että semantiikaltaan läpinäkymättömämpi kuin kotoperäinen -ness. Lisäksi -ity-johdinta on käytetty enimmäkseen formaaleissa tilanteissa ja tieteellisissä teksteissä, kun taas -ness on ollut yleiskäyttöisempi. Tutkielman lähestymistapa on sosiolingvistinen: oletetaan, että johtimien produktiivisuus (eli valmius muodostaa uusia johdoksia) voi vaihdella eri sosiaaliryhmissä. Sosiolingvistiikkaa ei ole aiemmin juurikaan sovellettu produktiivisuuden tutkimiseen. Tutkimusaineistona on Helsingin yliopiston VARIENG-tutkimusyksikön laatima Corpus of Early English Correspondence, varhaisista englanninkielisistä kirjeistä koostuva korpus eli elektroninen tekstikokoelma, joka on suunniteltu historiallisen sosiolingvistiikan tarpeisiin. Korpuksen 1600-luvun kirjeitten yhteenlaskettu pituus on noin 1,4 miljoonaa sanaa, ja ne on kirjoitettu vuosina 1600-1681. Tutkielman tärkeimpänä produktiivisuusmittarina käytetään johtimien avulla muodostettujen eri sanojen eli tyyppien lukumäärää. Hypoteesina on, että -ity-tyyppien määrä on keskimääräistä pienempi huonosti koulutettujen sosiaaliryhmien kirjeissä. Näitä olivat 1600-luvulla naiset sekä alhaisimmat yhteiskuntaryhmät, kuten talonpojat ja käsityöläiset. Johtimen -ness tyyppimäärissä ei odoteta esiintyvän sosiolingvististä variaatiota. Tutkielmassa käsitellään myös tyyppimäärien vertailuun liittyviä metodologisia ongelmia. Koska vaikkapa naisilta ja miehiltä on eri määrä dataa, ei heidän tyyppimääriään voida suoraan verrata keskenään. Esimerkiksi tyyppimäärien normalisointi tuhatta sanaa kohti ei myöskään ole mahdollista, koska tyyppien lukumäärä ei kasva lineaarisesti korpuksen kasvaessa. Tutkielmassa esitetään kielitieteessä harvoin käytetty tilastotieteellinen menetelmä, jonka avulla korpuksen eri osista saatuja tyyppimääriä voidaan verrata koko korpukseen ja testata, ovatko ne tilastollisesti merkittävän pieniä tai suuria. Toisin kuin monet yleisemmät menetelmät, tämä tyyppikertymiin ja permutaatiotesteihin perustuva metodi ei vaadi yksinkertaistavien oletuksien tekemistä. Tutkimustulokset vahvistavat hypoteesin oikeaksi: naisten -ity-tyyppien lukumäärä on tilastollisesti merkittävän alhainen, kun taas -ness-tyyppien määrissä ei ole tilastollisesti merkittäviä eroja. Alhaisimpien yhteiskuntaryhmien osalta tuloksia ei saada, koska niiltä on korpuksessa liian vähän dataa. Analyysissä paljastuu myös yllättävä eroavaisuus: korpuksen ajallisesti ensimmäisessä puoliskossa (1600-1639) on merkittävän vähän -ity-tyyppejä. Tämä voidaan tulkita kielelliseksi muutokseksi: -ity-johtimen produktiivisuus kasvaa kirjeissä 1600-luvun aikana. Saattaa olla, että johtimen produktiivisuus on ensin kasvanut formaalimmissa tekstilajeissa, joista lisääntynyt käyttö on sitten levinnyt myös kirjeisiin, ehkäpä 1640-luvun sisällissodan synnyttämien kontaktiverkostojen siivittämänä. Tuloksien perusteella voidaan sanoa, että sosiolingvistinen vaihtelu on merkittävä tekijä ainakin joittenkin johtimien produktiivisuudessa, joten vaihtelua on syytä tutkia enemmänkin. Tutkimuksessa käytetty metodi mahdollistaa osakorpuksien tyyppimäärien luotettavan vertailun melko pienissäkin korpuksissa, joten se soveltuu hyvin niin historialliseen kielitieteeseen kuin sosiolingvistiikkaankin.

Optically active gossypol as a circular dichroism probe of interactions with serum albumins

The (+)-enantiomer of the polyphenolic binaphthyl gossypol, has been shown to be a useful CD probe of interactions with human and bovine serum albumin. (+)-Gossypol binds to albumin with same affinity as recemic (±)-gossypol, as shown by fluorescence quenching, and also displaces bilirubin from its albumin binding site. The CD characteristics of bound gossypol are different in the case of the two proteins.

Oxygen transfer in circular surface aeration tanks

Surface aeration systems employed in activated sludge plants are the most energy-intensive units of the plants and typically account for a higher percentage of the treatment facility's total energy use. The geometry of the aeration tank imparts a major effect on the system efficiency. It is said that at optimal geometric onditions, systems exhibits the maximum efficiency. Thus the quantification of the optimal geometric conditions in surface aeration tanks is needed. Optimal geometric conditions are also needed to scale up the laboratory result to the field installation. In the present work, experimental studies have been carried out on baffled and unbaffled circular surface aeration tanks to ascertain the optimal geometric conditions. It is found that no optimal geometric conditions exist for the liquid/water depth in circular surface aeration tanks; however, for design purposes, a standard value has been assumed. Based on the optimal geometric conditions, a scale-up equation has been developed for the baffled circular surface aeration tanks.