As the Sc content

increased, the relaxation of the compre

As the Sc content

increased, the relaxation of the compressive stress in the ScxGa1-xN films occurred mainly via the introduction of additional a-type dislocations, but neither stacking faults nor significant compositional segregation was observed at any composition. A dewetting effect (which increased with increasing Sc content) was observed in MOVPE-grown GaN deposited on top of the ScxGa1-xN films, but the ScxGa1-xN remained compositionally Wnt mutation and structurally stable under GaN growth conditions.”
“Thermal degradation of poly(phenylene sulfide ether) (PPSE) was investigated by using thermogravimetry (TG) under air and nitrogen atmosphere. It was found that the existence of oxygen depressed the thermal stability of PPSE and changed the mechanism of thermal degradation. The influences of molecular weight and heating rate on the decomposition of PPSE were also investigated under N(2) atmosphere. The results showed that the thermal stability of PPSE was excellent and can be further enhanced by increasing molecular weight. A simple kinetic model

BIIB057 order concerning two parallel reactions in overall temperature range was proposed to describe the thermal degradation process of PPSE in nitrogen. Kinetic analysis of the dynamic TG curves for PPSE was carried Out by using Kissinger, Flynn-Wall-Ozawa, and Coats-Redfem methods. The kinetics of PPSE

degradation displayed that the two parallel reactions were in accordance with the first-order equation. The kinetic model was further validated by comparing SBI-0206965 datasheet the experimental and calculated results. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 114: 911-918, 2009″
“Distributions of emission intensity from radicals, electron temperature, and rotational temperature at a radio frequency of 27.12 MHz plasma in water are clarified by detailed spectroscopy measurement. Through this investigation, the following were observed. The points of maximum emission intensity of H alpha, H beta, O (777 nm), and O (845 nm) are almost the same, while that of OH shifts upward. The electron temperature decreases, while the rotational temperature increases with pressure. The distribution of the electron temperature changes at a threshold pressure, which is concerned with a change in the electron discharge mechanism. The self-bias of the electrode changes from a negative to positive at a threshold pressure. The point of the maximum rotational temperature of OH radicals shifts to approximately 1 mm above that for the maximum intensity of OH emission.”
“The Izod impact strength of two kinds of ternary composites was investigated.

Doppler sonography displayed noncompressible structures in the pl

Doppler sonography displayed noncompressible structures in the plantar veins without

THZ1 purchase flow signals, suggesting a plantar vein thrombosis. Therapy was initiated with low-molecular-weight heparin in combination with customized elastic bandages for the lower leg. Follow-up sonography 6 weeks later showed complete patency of the plantar veins. To our knowledge, we present the first case of isolated plantar vein thrombosis independent of trauma, surgery, or malignant disease, most probably caused by a busy night duty on the intensive care unit (ICU) followed by a prolonged sleeping period.”
“The direct current (DC) and alternating current (AC) conductivity of polyurethane (PUR) derived from polyols synthesized with glycerol, phthalic anhydride, and oleic acid were investigated in this article. The PUR was prepared by varying the oleic acid content in polyol (28, 40, and

65%) and the NCO/OH ratio Quizartinib supplier of the PUR was varied to 1.2, 1.4, and 1.6. The electrical conduction studied by measuring the dependence of current on the applied field and temperature. Electrical conductivity in PUR was expressed by Arrhenius relations and the activation energies were calculated. Moreover, hyperbolic sine function was used to determine the conduction mechanism in PUR. It’s presumed that the conduction mechanism was assisted by ions for the PUR which were contributed by oleic acid due to dissociation of protons and highly polar urethane groups in PUR. Furthermore, the dielectric behaviors of the material have been measured at room temperature

in the frequency range of 100 Hz to 40 MHz. The frequency-dependent conductivity of PUR materials has been analyzed using a Jonscher’s power law expression and the plot exhibits the typical behavior of ionic materials, i.e., the DC plateau and the frequency dependent region. buy PFTα (c) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 121: 1796-1803, 2011″
“The objectives of the present work were to prepare castor oil-based nano-sized emulsion containing cationic droplets stabilized by poloxamer-chitosan emulgator film and to assess the kinetic stability of the prepared cationic emulsion after subjecting it to thermal processing and freeze-thaw cycling. Presence of cryoprotectants (5%, w/w, sucrose +5%, w/w, sorbitol) improved the stability of emulsions to droplet aggregation during freeze-thaw cycling. After storing the emulsion at 4A degrees C, 25A degrees C, and 37A degrees C over a period of up to 6 months, no significant change was noted in mean diameter of the dispersed oil droplets. However, the emulsion stored at the highest temperature did show a progressive decrease in the pH and zeta potential values, whereas the emulsion kept at the lowest temperatures did not.

Upon enzyme adsorption assays (8 mL/g of solution/resin ratio, 15

Upon enzyme adsorption assays (8 mL/g of solution/resin ratio, 150 mg/mL of initial enzyme concentration and 14 +/- 1.4 mg protein/g resin), a Langmuir-type isotherm is observed. Enzyme concentration of 10 U/mL, selected in batch reactor experiments, is used for continuous GOS production carried out at lactose concentrations of 150 g/L and 300 g/L, and at 40 degrees C. Total dissolved solids concentration influences both reaction and saccharide mixtures fractionation. All observed sugar retention coefficients, mainly for

monosaccharides, increase with transmembrane pressure Alvocidib datasheet and a gap between the retention values of synthesized disaccharides and lactose (87% versus 77%, respectively, for 2 bar/40 degrees C) is displayed as a function of the effective transmembrane pressure and total sugars concentration. At 150 g/L total sugars in feed, trisaccharides are totally retained. Doubling sugars concentration, trisaccharides retentions decreased for all applied pressures, reaching 90%. (C) 2010 Elsevier B.V. All rights reserved.”
“Study Design. A series study of neurologically deficient patients with Denis B type thoracolumbar burst fractures treated with anterior single segmental decompression and fixation (ASSDF).

Objective. To describe a surgical technique of ASSDF and its clinical outcome in a group of neurologically deficient patients with Denis B

type thoracolumbar burst fractures.

Summary of Background Data. The optimal treatment for thoracolumbar burst fractures is still controversial.

Methods. The canals of selected patients were fully decompressed with partial dissection on fractured Selleckchem Belnacasan vertebral body. Single segmental fusion was achieved with grafting and fixation. Clinical evaluation (including Frankel scales and visual analogue scale) and radiologic assessments (including the measurements of the Bucladesine kyphosis Cobb angle, adjacent superior, inferior intervertebral disc height, and vertebral canal sagittal diameter on radiograph film and computer tomography scans) were performed before

the operation and at 3-day, 6-month, 1-, 2-, and 3-year intervals after the operation.

Results. Between June 2006 and May 2008, 37 patients with Denis B type thoracolumbar burst fractures were recruited for study. Thirty-four patients with successful ASSDF accomplished a 1-year follow-up. Average follow-up duration was 26 +/- 9.2 months. The average operation time and blood loss were 173 +/- 26 minutes and 445.6 +/- 164.4 mL, respectively. Average Frankel scales were significantly improved at the end of follow-up. visual analogue scale decreased from 7.2 perpendicular to 0.8 before operation to less than 1.7 perpendicular to 0.7 (P < 0.05) 6 months later. The vertebral canal sagittal diameter was enlarged from an average of 5.9 +/- 1.2 mm to 16.2 +/- 1.0 mm (P < 0.01). The canal stenosis index also improved, from 36.0% to 99.1%. Kyphosis was corrected from 21.5 degrees +/- 6.1 degrees to 7.3 degrees +/- 3.

In Kenya, the Division of Malaria Control is committed to ensurin

In Kenya, the Division of Malaria Control is committed to ensuring that 80 percent of childhood fevers are treated with effective anti-malarial medicines

within 24 hours of fever onset, but this target is largely unmet. This review aimed to document evidence Tozasertib mw on access to effective malaria treatment in Kenya, identify factors that influence access, and make recommendations on how to improve prompt access to effective malaria treatment. Since treatment-seeking patterns for malaria are similar in many settings in sub-Saharan Africa, the findings presented in this review have important lessons for other malaria endemic countries.

Methods: Internet searches were conducted in PUBMED ( MEDLINE) and HINARI databases using specific search terms and strategies. Grey literature was obtained by soliciting reports from individual researchers

working in the treatment-seeking field, from websites of major organizations involved in malaria control and from international reports.

Results: The review indicated that malaria treatment-seeking occurs mostly in the informal sector; that most fevers are treated, but treatment is often ineffective. Irrational drug use was identified as a problem in most studies, but determinants of this behaviour were not documented. Availability of non-recommended medicines over-the-counter and the presence of substandard anti-malarials in the market are well documented. Demand side determinants of access include perception of illness causes, severity

and timing of treatment, perceptions of treatment efficacy, simplicity of this website regimens and ability to pay. Supply side determinants include distance to health facilities, availability of medicines, prescribing and dispensing practices and quality of medicines. Policy level factors are around the complexity and unclear messages regarding drug policy changes.

Conclusion: Kenya, like many other African countries, is still far from CH5183284 chemical structure achieving the Abuja targets. The government, with support from donors, should invest adequately in mechanisms that promote access to effective treatment. Such approaches should focus on factors influencing multiple dimensions of access and will require the cooperation of all stakeholders working in malaria control.”
“The effects of arsenic stress on the production of low molecular weight thiols (LMWT), glutathione S-transferase activity (GST) and sulfur metabolism of mesquite plant (Prosopis sp.) were examined in hydroponic culture at different arsenic [As(III) and (V)] concentrations. The production of LMWT was dependent on As speciation and concentration in the growth medium. The roots of As(III) treated plants produced significantly higher LMWT levels than As(V) treated roots at the same concentration of As applied. In leaves, the thiols content increased with increasing As(III) and (V) concentrations in the medium.

Western blot analysis demonstrated that the compound enhanced the

Western blot analysis demonstrated that the compound enhanced the secretion of adiponectin protein in a dose-dependent manner. An increase in mRNA expression of adiponectin was also observed in the norlichexanthone-treated ST-13 cells. Actinomycin D treatment blocked the enhancement

of adiponectin mRNA expression by norlichexanthone, suggesting that it is the result of increased transcription. A luciferase reporter assay indicated that norlichexanthone was unlikely to be an agonist of PPAR gamma, implying that its action of mechanism might differ from those of thiazolidinediones which upregulate adiponectin expression via activation Entinostat mechanism of action of PPAR gamma. These findings suggest the possibility that norlichexanthone has the potential to treat and/or prevent lifestyle-related

diseases, including metabolic Defactinib syndrome, type 2 diabetes, atherosclerosis and cardiovascular diseases.


“A microsize cryoplasma jet was developed and analyzed at plasma gas temperatures ranging from room temperature down to 5 K. Experimental results obtained from optical emission spectroscopy and current-voltage measurements indicate that the average electron density and electron temperature of the cryoplasma jet depend on the gas temperature. In particular, the electron temperature in the cryoplasma starts to decrease rapidly near 60 K from about 13 eV at 60 K to 2 eV at 5 K, while the electron density increases from about 10(9) to approximately 10(12) cm-(3) from room temperature

to 5 LY2835219 K. This phenomenon induces an increase in the Coulomb interaction between electrons, which can be explained by the virial equation of state. (C) 2011 American Institute of Physics. [doi:10.1063/1.3552983]“
“Comparison of elastic network model predictions with experimental data has provided important insights on the dominant role of the network of inter-residue contacts in defining the global dynamics of proteins. Most of these studies have focused on interpreting the mean-square fluctuations of residues, or deriving the most collective, or softest, modes of motions that are known to be insensitive to structural and energetic details. However, with increasing structural data, we are in a position to perform a more critical assessment of the structure-dynamics relations in proteins, and gain a deeper understanding of the major determinants of not only the mean-square fluctuations and lowest frequency modes, but the covariance or the cross-correlations between residue fluctuations and the shapes of higher modes.

Bland-Altman analysis showed poor agreement, especially for inter

Bland-Altman analysis showed poor agreement, especially for intermediate stenosis (mean bias, 1.3%; 95% limits of agreement: -27.3%, 29.9%).

Conclusion: Despite excellent sensitivity and negative likelihood ratios in a per-patient or per-vessel analysis, some coronary artery stenosis remained misdiagnosed with 64-section CT, resulting in limited sensitivity on a per-segment basis owing to anatomic discordance and failure to accurately quantify intermediate stenosis. (C) RSNA, 2009″
“The brain is the most lipid-rich organ in the body and, owing to the impermeable

nature of the blood brain barrier, lipid and lipoprotein metabolism within this organ is distinct from the rest of the body. Apolipoproteins play a well-established role in the transport and metabolism of lipids within the PFTα in vivo CNS; however, evidence

is emerging that they also fulfill a number of functions that extend beyond lipid transport and are critical for healthy brain function. The importance of apolipoproteins in brain physiology is highlighted by genetic studies, where apolipoprotein gene polymorphisms have been identified as risk factors for several neurological diseases. Furthermore, the expression of brain apolipoproteins is significantly altered in several brain disorders. The purpose of this article is to provide an up-to-date assessment of the major apolipoproteins found in the brain (ApoE, ApoJ, ApoD and ApoA-I), covering their proposed

roles and the factors influencing 4EGI-1 their level of expression. Particular emphasis is placed on associations with neurological and psychiatric disorders.”
“A whey protein isolate (WPI) based carbon dioxide (CO2) indicator was studied under different CO2 conditions. WPI based CO2 indicators were prepared and incubated in a CO2 filled chamber in order to investigate the CO2 dependent transition behavior in visual appearance. Transparency of the WPI based CO2 indicator with 0.1% WPI changed from 91.8% to 24.6%. An indicator with 0.3% WPI changed from 73.7% to 7.7%. The change in visual appearance at the transition point was definite. The indicator showed an irreversible visual change due to the hysteresis behavior of the indicator. Desorption of CO2 did not restore the transparency. GSK461364 The CO2 dependent visual transition point was controlled by adding different concentrations of NaCl to the indicators. A WPI based CO2 indicator has potential for application as a CO2 dependent spoilage and over-ripeness indicator for a variety of foods.”
“The elastic compressional (P) and shear (S) wave velocities of silica glass at simultaneous high pressures and high temperatures were measured using a combination of ultrasonic interferometry, in situ synchrotron x-ray diffraction, and radiographic techniques in a large-volume Kawai-type multianvil apparatus.

The influence of a cosolvent (methanol) at various concentrations

The influence of a cosolvent (methanol) at various concentrations was studied regarding physical properties, morphology, and in vitro release profiles of the drugs from the PDLLA nanofibers. Swelling selleck chemical tests in a physiological

buffer solution were performed to determine the extent an rate of swelling of the fiber mats. The results showed that for both drugs electrospun fiber diameters decreased with increasing amounts of cosolvent, whereas water contact angles and drug-loading efficiency increased. However, similar in chemical structure, the two drugs exhibited considerably different release mechanisms. The results indicated that the concentration of methanol changed the release profiles mainly based on the morphology of the resultant nanofibers and the polymer/drug/solvent interaction during the electrospinning and drug release process. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 115:1-8,2010″
“A full structural investigation was carried out on novel lead-free piezoelectric solid solutions of xBiScO(3)-(1-x)BaTiO3 (BS-BT) between x = 0.0 Autophagy Compound Library cost and 0.35 utilizing x-ray and neutron powder diffraction. This particular system demonstrated an extended tetragonal-pseudocubic phase boundary at room temperature in the region 0.05 <= x <=

0.20. Rietveld refinements were performed on the neutron powder diffraction data to obtain detailed crystallographic information across the phase diagram of this binary system. The best model to describe the phase boundary was found to be a mixture of tetragonal (P4mm) and strongly pseudocubic rhombohedral (R3m) phases. Non-ambient x-ray diffraction patterns were collected in the temperature range of -253 to 325 degrees

C to elucidate the effect of incorporation of BiScO3 on the temperature-dependent structural phase transitions of BaTiO3. Interestingly, the BS-BT system for x >= 0.05 demonstrated only one structural phase transition, which is the ferroelectric to paraelectric phase transition, suppressing the other two low temperature phase transitions. High-temperature dielectric properties were also studied in order to examine the physical properties of the ceramics. (c) 2010 American Institute of Physics. [doi:10.1063/1.3309064]“
“Dendritic macromolecules containing several types of functional groups were successfully synthesized through divergent method. Poly(ethylene glycol) was functionalized using cyanuric chloride and it was reacted. with p-toluidine at room temperature and a macromolecule containing chloride and methyl functional groups (PEG-Cl(2)-Me(2)) was obtained. Substitution of chloride functional groups of PEG-Cl(2)-Me(2) by hydroxyl functional groups led to a macromolecule containing methyl and hydroxyl functional groups (PEG-Me(2)-OH(4)). Hydroxyl functional groups of PEG-Me(2)-OH(4) were reacted with cyanuric chloride and PEG-Me(2)-Cl(8) was obtained.

Systemic sclerosis is an autoimmune disease in which there is chr

Systemic sclerosis is an autoimmune disease in which there is chronic inflammation and fibrosis. The disease is associated with a Th2 polarization and IL-13 levels are elevated both in the blood and in the skin of patients. This review will examine the role of IL-13 in driving fibrosis with a particular emphasis on systemic sclerosis as a prototypical fibrotic disease. It will highlight recent research into the role of IL-13 and how this cytokine may be targeted in systemic sclerosis. (c) 2013 BioFactors, 39(6):593-596, 2013″

is evidence that the prevalence of migraine GF120918 purchase in children and adolescents may be increasing. Current theories of migraine pathophysiology in adults suggest activation of central cortical and brainstem pathways in conjunction with the peripheral trigeminovascular system, which ultimately results in release of neuropeptides, facilitation of central pain pathways, neurogenic inflammation surrounding learn more peripheral vessels, and vasodilatation. Although several risk factors for frequent episodic, chronic, and refractory migraine have been identified, the causes of migraine progression are not known. Migraine pathophysiology has not been fully evaluated in children. In this review, we will first discuss the evidence that early therapeutic interventions in the child or adolescent new onset

migraineur, may halt or limit progression and disability. We will then review the evidence suggesting that many adults with chronic or refractory migraine developed their migraine as children or adolescents and may not have been treated adequately with migraine-specific therapy. Finally, we will show that early, appropriate and optimal treatment of migraine during childhood and adolescence may result in disease modification and prevent progression find more of this disease.”
“A new sensitive, rapid and simple HPLC-DAD method has been developed and validated for simultaneous determination of captopril (CAP), hydrochlorothiazide (HCTZ) and their related compounds, captopril disulfide (CAD), chlorothiazide (CTZ), and 4-amino-6-chloro-1,3 benzenedisulfonamide

(BTDZ), in tablets. The chromatographic separation was performed using 5 mu m particles packed into a 4.6 mm i.d. phenyl column 150 mm in length that was maintained at 40 degrees C. A mobile phase consisted of a gradient of acetonitrile and phosphoric acid (0.067%) eluted at 1.2 mL min(-1). The injection volume was 20 mu L, and the detection wavelength was set at 220 nm. The validation procedures showed that the new method is selective and linear over a range of 0.5 to 400.0 mu g/mL for CAP, 03 to 14.4 mu g/mL for CAD, 0.05 to 100.0 mu g/mL for HCTZ, 0.08 to 1.2 mu g/mL for CTZ and 0.02 to 2.4 mu g/mL for BTDZ. Recoveries in the range of 98.82 to 101.31% and precision <5% for intra- and inter-day measurements were obtained.

These changes, in turn, maintain an immunological imbalance that

These changes, in turn, maintain an immunological imbalance that persists in the long term.”
“Patients suffering from cystic fibrosis (CF) develop chronic lung infections because of highly viscous mucus, where bacteria can form biofilms. In this study, we investigated the microorganisms present in the lungs of end-stage and non-end-stage patients using standard culturing techniques and molecular methods. Tissue and sputum samples (n = 34) from explanted lungs of five end-stage patients were examined along with routine expectorates (n = 15) from 13 patients with non-end-stage CF, representing earlier stages of chronic lung infections. Previously, using peptide nucleic acid (PNA) fluorescence in situ hybridization

ABT 737 (FISH), we have shown that Pseudomonas aeruginosa was the sole pathogen in end-stage CF lungs (Pediatr Pulmonol 2009, 44: 547). selleckchem In this study, this tendency was supported by the results of real-time PCR, confirming previous results obtained by standard culturing and 16S rRNA gene analysis (J Clin Microbiol 2011, 49: 4352). Conversely, the non-end-stage patients were found to harbor several species by culturing. PNA FISH confirmed heterogeneous microbiota and showed that the bacteria were located in monospecies aggregates with no apparent physical interaction between the different microcolonies. In conclusion, standard culturing identifies the dominating pathogens, which

seem to reside in monospecies microcolonies. The possibility of signaling between the distinct microcolonies still has to be verified and elucidated.”
“The deciduous dentition of the domestic pig is comprised of 28 teeth (2 x incisors 3/3, canine 1/1, premolars 3/3, molars 0/0). The timing and sequence of deciduous dental eruption were determined from oral exams on 233 Yorkshire piglets from 0 to 5 wk of age. Eruption occurred sooner in gilts for all molariform premolars (p(3), p(4), and p(4), P < 0.01) and first incisor, i(1) (P = 0.004). Birth weight influenced eruption for

all teeth except i(1) (i(1), p(3), p(3), p(4), and p(4); P < 0.01), with heavier piglets having earlier eruption. Average daily gain in wk 1 of life was associated Staurosporine TGF-beta/Smad inhibitor with earlier eruption times of p(3) (P = 0.006), p(4) (P = 0.001), and i(1) (P = 0.001), whereas ADG during wk 2 was associated with earlier eruption for p(4) (P = 0.036). The parity (P = 0.025) and age (P = 0.013) of the sow were associated with earlier eruption of i(1). No litter characteristics were found to be significant. Sequence of eruption was determined to be i(1), p(3), p(4), i(1), p(3), p(4), although polymorphisms (reversals) were found to occur in over 40% of individuals of both sexes for mandibular i(1) and p(4) and maxillary p(3) and i(1). Size of the left i(3), which is already erupted at birth as part of the needle teeth dentition, was found to be larger in males (P = 0.026). Body weight gain was not associated with the size of i(3).

“Objective-To describe clinical signs, diagnostic findings

“Objective-To describe clinical signs, diagnostic findings, treatment, and outcome and determine MEK inhibitor factors associated with survival time for dogs with thymoma.

Design-Multi-institutional retrospective case series.

Animals-116 dogs

with thymoma.

Procedures-Medical records were searched for information regarding signalment, physical examination findings, results of laboratory testing and diagnostic imaging, medical and surgical treatment, and survival data.

Results-Of the 116 dogs with thymoma, 44 (38%) were Labrador Retrievers and Golden Retrievers. Twenty of 116 (17%) dogs had signs of myasthenia gravis (diagnosis was confirmed for 13 dogs). At the time of thymoma diagnosis, 40 (34%) dogs had hypercalcemia, 8 (7%) dogs had a concurrent immune-mediated disease, and 31(27%) dogs had another tumor; 16 (14%) dogs developed a second nonthymic tumor at a later date. Tumor excision was performed for 84 dogs, after which 14 (17%) had tumor recurrence; prognosis was good for dogs undergoing a second surgery. Median survival time with and without surgical treatment was 635 and 76 days, respectively. Presence of another tumor at the time of thymoma

diagnosis, lack of surgical excision, and higher pathological stage were significantly associated with shorter survival time. Hypercalcemia and presence of myasthenia LEE011 nmr gravis or megaesophagus at the time of thymoma diagnosis, histopathologic subtype of thymoma, or tumor development at a later date was not associated with survival time.

Conclusions and Clinical Relevance-Dogs with thymoma, even those with a large tumor burden or a paraneoplastic syndrome, PLX-4720 had a good prognosis following surgery. Surgical treatment, tumor stage, and the presence of a second tumor at diagnosis influenced survival time.”
“Experimental amino acid concentrations of blonde and black commercial beers, brewed in Argentina, as well as national malts were subjected for the first time to Quantitative Structure-Property Relationships (QSPRs). Thus, Dragon theoretical

descriptors were derived for a set of optimised amino acid structures with the purpose of assessing QSPR models. We used the statistical Replacement Method for designing the best multi-parametric linear regression models, which included structural features selected from a pool containing 1497 constitutional-, topological-, geometrical-, and electronic-type molecular descriptors. In this work QSPR results were in good agreement with experimental amino acid profiles, thus demonstrating the predictive power of the designed QSPRs. QSPR-modelling was used to predict aminograms, and was also used to estimate non-available amino acid concentrations for these malts, and beers. The developed QSPR approach showed to be an useful tool for discriminating among blonde and dark beers, and malts. This is a new application of the QSPR theory to food, in particular to chemical biomarkers of malts and beers.