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Erianthus arundinaceus is a wild relative of sugarcane (Saccharum officinarum L.) with many desirable agronomic traits for sugarcane genetic improvement. However, limited knowledge of the complex genome of hexaploid E. arundinaceus has impeded the development of required molecular tools. Dissecting complex genomes into single chromosomes can simplify analyses. The flow-cytometric sorting of a single chromosome of E. arundinaceus in a Saccharum-Erianthus introgression line is reported. A novel approach called genomic in situ hybridization in suspension was used to discriminate the alien chromosome from sugarcane chromosomes at the same size. A total of 218,000 E. arundinaceus chromosome 1 (EaC1) were sorted to >97% purity and amplified DNA was sequenced using Illumina and PacBio technologies. The resulting assembly had a 70.93 Mb contig sequence with an N50 of 19.62 kb. A total of 56.69 Mb repeat sequences were predicted, accounting for 79.1% of the chromosome and 2646 genes having a total length of 1.84 Mb that represented 2.59% of the chromosome. Of these genes, 1877 (70.9%) genes were functionally annotated. The phylogenetic relationship of E. arundinaceus with other species using the chromosome 1 sequence revealed that E. arundinaceus was distantly related to Oryza sativa and Zea mays, followed by Sorghum bicolor, and was closely related to S. spontaneum and Saccharum spp. hybrids. This study provides the first insights into the characteristics of EaC1, and the results will provide tools to support molecular improvement and alien introgression breeding of sugarcane. [ABSTRACT FROM AUTHOR]

The nondestructive characterization of citrus varieties (Egyptian sweet orange, Lane Late navel orange, Australian orange, and Blood orange) was developed based on near-infrared diffuse reflectance spectroscopy (NIRDRS) together with principal component analysis (PCA) and Fisher linear discriminant analysis (FLDA). An experiment for the penetration of NIRDRS into the peel was designed and the effects of different spectral acquisition points were investigated. Pretreatments were used to eliminate the spectral interferences. As an unsupervised pattern recognition method, PCA was used to establish the characterization models. Furthermore, supervised pattern recognition based on PCA and FLDA was employed to enhance the accuracy. The results of the penetration experiments show that near-infrared light enters the citrus peel and is able to characterize the internal composition. Even with the optimized spectral pretreatment, accurate characterization of citrus varieties was not achieved by PCA. However, the accurate characterization of citrus varieties was provided by PCA-FLDA. The accuracies of four spectral acquisition points are 95%, while the characterization accuracies of six spectral acquisition points are 100% combined with optimized spectral pretreatment. Therefore, NIRDRS with PCA-FLDA is suitable for the rapid and nondestructive characterization of citrus varieties. [ABSTRACT FROM AUTHOR]

Recently, the highly ordered J-aggregates of organic dyes with intriguing optical properties have received considerable attention in biomedical applications. Herein, binary metal ions Mn(II)/Fe(III) are used to induce the formation of indocyanine green (ICG) J-aggregates. Further, the sheet-like J-aggregates are able to act as "carriers" for loading hydrophobic chemotherapeutic gambogic acid (GA), realizing the effect of "killing two birds with one stone" for both treatment and delivery. The as-designed nanoassembly is formed spontaneously in aqueous environment via π- π stacking, electrostatic interaction, and hydrophobic force, exhibiting enhanced photostability of ICG and outstanding reactive oxygen species (ROS) generation ability. Moreover, significant inhibition of tumor growth by the synergetic effect of phototherapy and chemotherapy is verified in a subcutaneous 4T1 tumors model. In conclusion, this work not only presents a facile and green approach to manufacture carrier-free nanodrugs, but also establishes a universal platform that has potential application in the co-delivery of near-infrared dye and hydrophobic molecules. [ABSTRACT FROM AUTHOR]

Purpose: We aimed to develop and prospectively validate a risk score model to guide individualized concurrent chemoradiotherapy (CCRT) for patients with stage II nasopharyngeal carcinoma (NPC) in intensity-modulated radiotherapy (IMRT) era. Materials and Methods: In total, 1220 patients who received CCRT or IMRT alone were enrolled in this study, including a training cohort (n = 719), a validation cohort (n = 307), and a prospective test cohort (n = 194). Patients were stratified into different risk groups by a risk score model based on independent prognostic factors, which were developed in the training cohort. Survival rates were compared by the log-rank test. The validation and prospective test cohorts were used for validation. Results: Total tumor volume, Epstein-Barr virus DNA, and lactate dehydrogenase were independent risk factors for failure-free survival (FFS, all p < 0.05). A risk score model based on these three risk factors was developed to classify patients into low-risk group (no risk factor, n = 337) and high-risk group (one or more factors, n = 382) in the training cohort. In the high-risk group, CCRT had better survival rates than IMRT alone (5-year FFS: 82.6% vs. 74.0%, p = 0.028). However, there was no survival difference between CCRT and IMRT alone either in the whole training cohort (p = 0.15) or in the low-risk group (p = 0.15). The results were verified in the validation and prospective test cohorts. Conclusion: A risk score model was developed and prospectively validated to precisely select high-risk stage II NPC patients who can benefit from CCRT, and thus guided individualized treatment in IMRT era. [ABSTRACT FROM AUTHOR]

To study the lateral deformation characteristics of coal under different confining pressures, coal compression experiments with confining pressures of 0 MPa, 3 MPa, 5 MPa, and 7 MPa were conducted under the same loading rate by using the TAW-2000 electrohydraulic servo rock mechanics experimental machine. The results of the study showed the following: at the initial stage of loading, the lateral strain of coal was about 12.22%–46.9% of the axial strain at the elastic deformation stage and 41.18%–64.96% of the axial strain at the inelastic deformation to peak stress stage. Compared with the experiment under 0 MPa confining pressure, the growth rate of the lateral strain of the coal under 3 MPa, 5 MPa, and 7 MPa confining pressures was much smaller than that of the corresponding axial strain. When the coal was damaged under different confining pressures, the lateral strain was maintained at about 0.6 × 10−2. Based on the field verification, we proposed that the lateral strain during the coal failure and the nonlinear region of the lateral axis ratio changing with time can be used as potential parameters for predicting the coal failure. [ABSTRACT FROM AUTHOR]

Herein, we report a direct method to synthesize 2-phenylacetophenone through a ruthenium(II)-catalyzed cross-coupling reaction between acyl and benzyl radical. The various derivatives of 2-phenylacetophenone were prepared easily in moderate to good yields. These reactions provide a straightforward pathway to synthesize a variety of ketones bearing various functional groups. [ABSTRACT FROM AUTHOR]

Quality control (QC) is the most important key issue in the pharmaceutical industry to ensure the quality of drug products. Many analytical instruments and techniques in pharmaceutical analysis are applied to assess the quality and quantity of the drugs. In the current and future trends, a combination of digitization, automation and hyphenation with high throughput on-line performance will be the topics for the future of pharmaceutical QC. The hyphenated analytical techniques have recently received great attention as unique means to solve complex analytical problems in a short period of time. This review article is an update on the recent potential applications of hyphenated technique developed from the coupling of a rapid separation or induction technique (differential scanning calorimetry; DSC) and an on-line spectroscopic (Fourier transform infrared; FTIR) detection technology to carry out an one-step solid-state analysis in pharmaceutical formulation developments, including (1) intramolecular condensation of pharmaceutical polymers, (2) intramolecular cyclization of drugs and sweetener, (3) polymorphic transformation of drugs and excipients, (4) drug-polymer (excipient) interaction, (5) fast cocrystal screening and formation. This simultaneous DSC-FTIR microspectroscopy can also provide an easy and direct method for one-step screening and qualitative detection of drug stability in real time. [ABSTRACT FROM AUTHOR]

Due to the circadian rhythm regulation of almost every biological process in the human body, physiological and biochemical conditions vary considerably over the course of a 24-h period. Thus, optimal drug delivery and therapy should be effectively controlled to achieve the desired therapeutic plasma concentrations and therapeutic drug responses at the required time according to chronopharmacological concepts, rather than continuous maintenance of constant drug concentrations for an extended time period. For many drugs, it is not always necessary to constantly deliver a drug into the human body under disease conditions due to rhythmic variations. Pulsatile drug delivery systems (PDDSs) have been receiving more attention in pharmaceutical development by providing a predetermined lag period, followed by a fast or rate-controlled drug release after application. PDDSs are characterized by a programmed drug release, which may release a drug at repeatable pulses to match the biological and clinical needs of a given disease therapy. This review article focuses on thermoresponsive gating membranes embedded with liquid crystals (LCs) for transdermal drug delivery using PDDS technology. In addition, the principal rationale and the advanced approaches for the use of PDDSs, the marketed products of chronotherapeutic DDSs with pulsatile function designed by various PDDS technologies, pulsatile drug delivery designed with thermoresponsive polymers, challenges and opportunities of transdermal drug delivery, and novel approaches of LC systems for drug delivery are reviewed and discussed. A brief overview of all academic research articles concerning single LC- or binary LC-embedded thermoresponsive membranes with a switchable on-off permeation function through topical application by an external temperature control, which may modulate the dosing interval and administration time according to the therapeutic needs of the human body, is also compiled and presented. In the near future, since thermal-based approaches have become a well-accepted method to enhance transdermal delivery of different water-soluble drugs and macromolecules, a combination of the thermal-assisted approach with thermoresponsive LCs membranes will have the potential to improve PDDS applications but still poses a great challenge. Unlabelled Image [ABSTRACT FROM AUTHOR]

Kaposi's sarcoma associated herpesvirus (KSHV) is the causative agent of Kaposi's sarcoma (KS), an acquired immunodeficiency syndrome (AIDS)-defining cancer with abnormal angiogenesis. The high incidence of KS in human immunodeficiency viruses (HIV)-infected AIDS patients has been ascribed to HIV-1 and KSHV interaction, focusing on secretory proteins. HIV-1 secreted protein HIV-Tat has been found to synergize with KSHV lytic proteins to induce angiogenesis. However, the impact and underlying mechanisms of HIV-Tat in KSHV-infected endothelial cells undergoing viral lytic reactivation remain unclear. Here, we identified LINC00313 as a novel KSHV reactivation-activated long non-coding RNA lncRNA) that interacts with HIV-Tat. We found that LINC00313 overexpression inhibits cell migration, invasion and tube formation, and this suppressive effect was relieve by HIV-Tat. In addition, LINC00313 bound to polycomb repressive complex 2 PRC2) complex components and this interaction was disrupted by HIV-Tat suggesting that LINC00313 may mediate transcription repression through recruitment of PRC2 and HIV-Tat alleviates repression through disruption of this association. This notion was further supported by bioinformatics analysis of transcriptome profiles in LINC00313 overexpression combined with HIV-Tat treatment. Ingenuity Pathway Analysis (IPA) showed that LINC00313 overexpression negatively regulates cell movement and migration pathways, and enrichment of these pathways was absent in the presence of HIV-Tat. Collectively, our results illustrate that an angiogenic repressive lncRNA, LINC00313 that is up-regulated during KSHV reactivation interacts with HIV-Tat to promote endothelial cell motility. These results demonstrate that a lncRNA serves as a novel connector in HIV-KSHV interactions. [ABSTRACT FROM AUTHOR]

Many ultrafast solid phase transitions are treated as chemical reactions that transform the structures between two different unit cells along a reaction coordinate, but this neglects the role of disorder. Although ultrafast diffraction provides insights into atomic dynamics during such transformations, diffraction alone probes an averaged unit cell and is less sensitive to randomness in the transition pathway. Using total scattering of femtosecond x-ray pulses, we show that atomic disordering in photoexcited vanadium dioxide (VO2) is central to the transition mechanism and that, after photoexcitation, the system explores a large volume of phase space on a time scale comparable to that of a single phonon oscillation. These results overturn the current understanding of an archetypal ultrafast phase transition and provide new microscopic insights into rapid evolution toward equilibrium in photoexcited matter. [ABSTRACT FROM AUTHOR]

The glial cell line-derived neurotrophic factor (GDNF) family of ligands (GFLs)comprising of GDNF, neurturin, artemin, and persephin plays an important role in the development and maintenance of the central and peripheral nervous system, renal morphogenesis, and spermatogenesis. Here we review our current understanding of GFL biology, and supported by recent progress in the area, we examine their emerging role in endocrine-related and other non-hormone-dependent solid neoplasms. The ability of GFLs to elicit actions that resemble those perturbed in an oncogenic phenotype, alongside mounting evidence of GFL involvement in tumor progression, presents novel opportunities for therapeutic intervention. [ABSTRACT FROM AUTHOR]

The variations of the barrier heights in the decomposition of the firefly dioxetanone and its analogues with the electrostatic field produced by the active site amino acid residues in the firefly luciferase are examined by a density functional theory study of the high-energy intermediates of the three luciferins. The positive electric field along the long-axis direction of the luciferins lowers the activation energy and acts as an electrostatic catalyst in the thermolysis process. The calculated barrier heights for the firefly dioxetanone and its analogues surrounded by the firefly Photinus pyralis luciferase show that the energy barrier of the firefly dioxetanone is lowered by the luciferase but is raised for the other analogue. Thus, the thermolysis rate is enhanced for the natural d-luciferin and reduced for the other analogue by the firefly luciferase, which elucidates why the luciferase acts as a catalyst for the natural d-luciferin but makes some luciferins emit weaker light signals. [ABSTRACT FROM AUTHOR]

Background: In the pathogenesis of diabetic retinopathy, damaged retinal mitochondria accelerate apoptosis of retinal capillary cells, and regulation of oxidative stress by manipulating mitochondrial superoxide dismutase ( SOD2) protects mitochondrial homeostasis and prevents the development of diabetic retinopathy. Diabetes also activates matrix metalloproteinase-9 (MMP-9), and activated MMP-9 damages retinal mitochondria. Recent studies have shown a dynamic DNA methylation process playing an important role in regulation of retinal MMP-9 transcription in diabetes; the aim of this study is to investigate the role of oxidative stress in MMP-9 transcription. Methods: The effect of regulation of mitochondrial superoxide on DNA methylation of MMP-9 promoter region was investigated in retinal endothelial cells incubated in the presence or absence of a MnSOD mimetic MnTBAP, by quantifying the levels of 5 methyl cytosine (5mC) and hydroxyl-methyl cytosine (5hmC). The binding of DNA methylating, and of hydroxymenthylating enzymes (Dnmts and Tets, respectively), at MMP-9 promoter (by chromatin immunoprecipitation) was also evaluated. The in vitro results were confirmed in the retina of diabetic mice overexpressing SOD2. Results: MnTBAP attenuated glucose-induced decrease in 5mC levels and increase on Dnmt1 binding at the MMP-9 promoter region. MnTBAP also ameliorated alterations in 5hmC levels and Tet binding, regulated MMP-9 transcription, and prevented mitochondrial damage. Similarly, mice overexpressing SOD2 were protected from diabetes-induced alteration in MMP-9 promoter methylation, and its transcription. Conclusions: Thus, regulation of oxidative stress by pharmacologic/genetic approaches maintains retinal mitochondrial homeostasis by ameliorating epigenetic modifications in the MMP-9 promoter region. [ABSTRACT FROM AUTHOR]

Various methods and analytical techniques for the preparation and identification of pharmaceutical co-crystals have been applied, but these operations require considerable time for the screening and preparation of co-crystals. In this review, a powerful method that combines Fourier-transform infrared (FTIR) microspectroscopy with thermal analysis is introduced. This unique one-step real-time differential scanning calorimetry (DSC)–FTIR microspectroscopic approach has been successfully applied to simultaneously and directly screen and detect pharmaceutical co-crystal formation in systems such as indomethacin–saccharin, indomethacin–nicotinamide, carbamazepine–glutaric-acid, metaxalone–succinic-acid and piroxicam–saccharin. This powerful one-step DSC–FTIR combined technique provides an easy and direct method for one-step screening and qualitative detection of co-crystal formation in real time. [ABSTRACT FROM AUTHOR]

Background: The frequency of a variant in the general population is a key criterion used in the clinical interpretation of sequence variants. With certain exceptions, such as founder mutations, the rarity of a variant is a prerequisite for pathogenicity. However, defining the threshold at which a variant should be considered "too common" is challenging and therefore diagnostic laboratories have typically set conservative allele frequency thresholds. Methods: Recent publications of large population sequencing data, such as the Exome Aggregation Consortium (ExAC) database, provide an opportunity to characterize with accuracy and precision the frequency distributions of very rare disease-causing alleles. Allele frequencies of pathogenic variants in ClinVar, as well as variants expected to be pathogenic through the nonsense-mediated decay (NMD) pathway, were analyzed to study the burden of pathogenic variants in 79 genes of clinical importance. Results: Of 1364 BRCA1 and BRCA2 variants that are well characterized as pathogenic or that are expected to lead to NMD, 1350 variants had an allele frequency of less than 0.0025%. The remaining 14 variants were previously published founder mutations. Importantly, we observed no difference in the distributions of pathogenic variants expected to be lead to NMD compared to those that are not. Therefore, we expanded the analysis to examine the distributions of NMD expected variants in 77 additional genes. These 77 genes were selected to represent a broad set of clinical areas, modes of inheritance, and penetrance. Among these variants, most (97.3%) had an allele frequency of less than 0.01%. Furthermore, pathogenic variants with allele frequencies greater than 0.01% were well characterized in publications and included many founder mutations. Conclusions: The observations made in this study suggest that, with certain caveats, a very low allele frequency threshold can be adopted to more accurately interpret sequence variants. [ABSTRACT FROM AUTHOR]

The Renewable Fuel Standard (RFS) program, which mandates the commercialization of biofuels through 2022, is the United States' most significant piece of legislation regarding renewable energy. It was first passed in 2005 and revised and expanded in 2007 in order to create a viable market for biofuels based on the policy goals of enhancing domestic U.S. energy security, reducing transportation-related greenhouse gas (GHG) emissions, and stimulating rural economic development. The RFS requires minimum levels of consumption for different kinds of biofuels and requires increasing blending amounts of biofuels into gasoline and diesel fuels by producers and importers each year. Mandates and targets for biofuels as required by the RFS are not a policy exclusive just to the U.S. Sixty-four other countries mandate fixed quantities of ethanol use in gasoline to generally stimulate renewable energy use and to specifically promote production of biofuels. In the past few years, there have been challenges in complying with the RFS in the U.S. As a result, legislative mandates were modified and reduced to respond to these difficulties. Proponents of the RFS argue that the policy reduces the risk of investing in renewable fuel projects, enhances the country's energy security as well as the rural sector, and addresses climate change concerns. On the other hand, critics argue that policy makers are "picking a winner" by funding biofuels over other types of alternative energy sources, and mandates for biofuels have presented unintended consequences in other areas, such as the food markets, land use patterns and the current gasoline-market infrastructure. Many studies have observed beneficial impacts of mandates on the agricultural markets and on the environment. However, there are very few empirical studies of the actual impact of the RFS on the development of the biofuel industry and none that use an industrial policy approach to analyze this issue. In this Article, we intend to fill this gap and provide an empirical study addressing whether the RFS is an effective policy instrument that incentivizes an efficient and sustainable development of the biofuels industry. Our analysis uses data from the first-generation ethanol industry between the years 2000 and 2013, and we find that the industry life cycle mediates the effects of the RFS in contributing to production-related economies of scale. More specifically, our empirical findings suggest that the RFS had a significant positive effect on the production capacity of firstgeneration ethanol firms during the early stages of development of the first-generation ethanol industry. But the RFS does not have a statistically significant effect on plant or firm capacity after the first-generation ethanol market entered a mature stage in its product life cycle. [ABSTRACT FROM AUTHOR]

Polymers or polymeric materials are almost ubiquitous in our daily lives, and their production involves major industrial efforts worldwide. Smart polymers have been developed for diverse purposes ranging from commodities to high-tech medical applications. In particular, bio-based polymers have attracted increasing attention because of environmental concerns and the realization that global petroleum resources are finite. A great quantity of these polymers has been synthesized, and more will be produced in the future. Therefore, their characterization requires various analytical instruments and methods. This article presents the most comprehensive overview of basic operational principles of various advanced hyphenated techniques for polymer analysis and characterization and to present several literature examples of applications of these techniques. An overview of polymer classification and characterization in terms of physico-chemical, mechanical, thermal, and viscoelastic properties is initially introduced. Next, the polymer characterization by conventional thermal analysis is discussed. Hyphenated analytical technique is online coupling of separation and detection techniques using suitable interfaces. Here, the main focus of this review article will discuss recent advances in the online applications of various hyphenated techniques such as double-, triple-, and quadruple-hyphenated methods along with appropriate examples. This should be the first review article simultaneously introduced and discussed overall above three techniques, rather than only one or two techniques presented in other review article. These hyphenated techniques offer shorter analysis times, increased automation, higher sample throughput, better reproducibility, and reduced contamination. The remarkable improvements observed in these methods are expected to enhance combined selectivity and increase the amount of authentic information obtained. When the hyphenated analytical techniques are combined, however, there will be having synergies and negative consequences. Details on the advantages and disadvantages of the hyphenated coupling techniques should be paid more and more attention on the investigation of polymeric materials. [ABSTRACT FROM PUBLISHER]

Objective(s): Yu-Ping-Feng-San (YPFS) is a classical traditional Chinese medicine that is widely used for treatment of the diseases in respiratory systems, including chronic obstructive pulmonary disease (COPD) recognized as chronic inflammatory disease. However, the molecular mechanism remains unclear. Here we detected the factors involved in transforming growth factor beta 1 (TGF-β1)/Smad2 signaling pathway and inflammatory cytokines, to clarify whether YPFS could attenuate inflammatory response dependent on TGF-β1/Smad2 signaling in COPD rats or cigarette smoke extract (CSE)-treated human bronchial epithelial (Beas-2B) cells. Materials and Methods: The COPD rat model was established by exposure to cigarette smoke and intratracheal instillation of lipopolysaccharide, YPFS was administered to the animals. The efficacy of YPFS was evaluated by comparing the severity of pulmonary pathological damage, pro-inflammation cytokines, collagen related genes and the activation of TGF-β1/Smad2 signaling pathway. Furthermore, CSE-treated cells were employed to confirm whether the effect of YPFS was dependent on the TGF-β1/Smad2 signaling via knockdown Smad2 (Si-RNA), or pretreatment with the inhibitor of TGF-β1. Results: Administration of YPFS effectively alleviated injury of lung, suppressed releasing of proinflammatory cytokines and collagen deposition in COPD animals (P<0.05), whereas exogenous TGF-β1 promoted releasing of IL-1β, IL-6, TNFα (P<0.05). Administration YPFS reduced inflammatory response significantly, also down-regulated TGF-β1/Smad2 signaling in vivo and in vitro. Unexpectedly, knockdown Smad2 or inhibition of TGF-β1 abolished anti-inflammatory effect of YPFS in CSE-treated cells. Conclusion: YPFS accomplished anti-inflammatory effects mainly by suppressing phosphorylation of Smad2, TGF-β1/Smad2 signaling pathway was required for YPFS-mediated anti-inflammation in COPD rats or CSE-treated Beas-2B cells. [ABSTRACT FROM AUTHOR]

Liver fibrosis is characterized with the over expression and excessive accumulation of extracellular matrix proteins, including collagens. The causative factors in the over production of collagens are not fully understood. This study aims to test a hypothesis that activation of corticotropin releasing factor receptors up regulates the expression of collagen in hepatic stellate cells. In this study, human hepatic stellate cell line, LX-2 cells were cultured. Expression of collagens by LX-2 cells was assessed by real time RT-PCR, Western blotting. The results showed that, upon exposure to urocortin in the culture, LX-2 cells (a human hepatic stellate cell line) increased the expression of collagen IV (Col4) markedly. The exposure to urocortin also enhanced the levels of pTip60, H3K9, RNA polymerase II and forkhead box protein 3 at the collagen promoter locus as well as increase in the expression of Col4 mRNA and protein in the cells. Blocking p300 efficiently suppressed the urocortin-induced Col4 expression in LX-2 cells and unveiled an apoptosis-inducing effect of urocortin. In conclusion, activation of CRF receptors is capable of enforcing the production of Col4 by LX-2 cells via up regulating the p300 pathway, which may contribute to the development of liver fibrosis. [ABSTRACT FROM AUTHOR]

This review discusses an analytical technique that combines differential scanning calorimetry and Fourier-transform infrared (DSC–FTIR) microspectroscopy, which simulates the accelerated stability test and detects decomposition products simultaneously in real time. We show that the DSC–FTIR technique is a fast, simple and powerful analytical tool with applications in food sciences. This technique has been applied successfully to the simultaneous investigation of: encapsulated squid oil stability; the dehydration and intramolecular condensation of sweetener (aspartame); the dehydration, rehydration and solidification of trehalose; and online monitoring of the Maillard reaction for glucose (Glc)/asparagine (Asn) in the solid state. This technique delivers rapid and appropriate interpretations with food science applications. [ABSTRACT FROM PUBLISHER]

The amorphous form of a drug has higher water solubility and faster dissolution rate than its crystalline form. However, the amorphous form is less thermodynamically stable and may recrystallize during manufacturing and storage. Maintaining the amorphous state of drug in a solid dosage form is extremely important to ensure product quality. The purpose of this study was to quantitatively determine the amount of amorphous indomethacin (INDO) formed in the Soluplus ® solid dispersions using thermoanalytical and Fourier transform infrared (FTIR) spectral curve-fitting techniques. The INDO/Soluplus ® solid dispersions with various weight ratios of both components were prepared by air-drying and heat-drying processes. A predominate IR peak at 1683 cm −1 for amorphous INDO was selected as a marker for monitoring the solid state of INDO in the INDO/Soluplus ® solid dispersions. The physical stability of amorphous INDO in the INDO/Soluplus ® solid dispersions prepared by both drying processes was also studied under accelerated conditions. A typical endothermic peak at 161 °C for γ-form of INDO (γ-INDO) disappeared from all the differential scanning calorimetry (DSC) curves of INDO/Soluplus ® solid dispersions, suggesting the amorphization of INDO caused by Soluplus ® after drying. In addition, two unique IR peaks at 1682 (1681) and 1593 (1591) cm −1 corresponded to the amorphous form of INDO were observed in the FTIR spectra of all the INDO/Soluplus ® solid dispersions. The quantitative amounts of amorphous INDO formed in all the INDO/Soluplus ® solid dispersions were increased with the increase of γ-INDO loaded into the INDO/Soluplus ® solid dispersions by applying curve-fitting technique. However, the intermolecular hydrogen bonding interaction between Soluplus ® and INDO were only observed in the samples prepared by heat-drying process, due to a marked spectral shift from 1636 to 1628 cm −1 in the INDO/Soluplus ® solid dispersions. The INDO/Soluplus ® solid dispersions prepared by both drying processes could keep the amorphous state of INDO in the INDO/Soluplus ® solid dispersions at the accelerated storage condition. [ABSTRACT FROM AUTHOR]

A successful launch is the first step in a successful lunar exploration (LE) mission. Because spacecraft are very expensive, it is difficult to conduct sufficient flight tests to assess the launch success ratio (LSR) for the LE. Instead, the LSR needs to be comprehensively assessed using simulation tests with several large data samples and flight tests with small data samples. However, the data distribution in these different tests may not come from the same population, and the large-sample simulation test information may dominate the small-sample flight test information. Aimed at these problems, this paper proposes an LSR assessment model for the LE. The model introduces reliability measures to more accurately reflect the differences between the data populations, uses a goodness-of-fit test to check the compatibility of the simulation test data and the flight test data and to calculate the corresponding reliability, and combines the prior simulation test data distribution and the flight test data to estimate the final LSR using Bayesian statistical inference. A theoretical analysis and simulation tests illustrate how the proposed model can overcome the problem of reconciling different data sources with different populations, successfully estimate the LSR for an LE, and solve the problem of large-sample data dominating small-sample data. [ABSTRACT FROM AUTHOR]

A growingnumber of studies employ time-averaged experimental datato determine dynamic ensembles of biomolecules. While it is well-knownthat different ensembles can satisfy experimental data to within error,the extent and nature of these degeneracies, and their impact on theaccuracy of the ensemble determination remains poorly understood.Here, we use simulations and a recently introduced metric for assessingensemble similarity to explore degeneracies in determining ensemblesusing NMR residual dipolar couplings (RDCs) with specific applicationto A-form helices in RNA. Various target ensembles were constructedrepresenting different domain–domain orientational distributionsthat are confined to a topologically restricted (<10%) conformationalspace. Five independent sets of ensemble averaged RDCs were then computedfor each target ensemble and a “sample and select” schemeused to identify degenerate ensembles that satisfy RDCs to withinexperimental uncertainty. We find that ensembles with different ensemblesizes and that can differ significantly from the target ensemble (byas much as ∑Ω ∼ 0.4 where ∑Ω variesbetween 0 and 1 for maximum and minimum ensemble similarity, respectively)can satisfy the ensemble averaged RDCs. These deviations increasewith the number of unique conformers and breadth of the target distribution,and result in significant uncertainty in determining conformationalentropy (as large as 5 kcal/mol at T= 298 K). Nevertheless,the RDC-degenerate ensembles are biased toward populated regions ofthe target ensemble, and capture other essential features of the distribution,including the shape. Our results identify ensemble size as a majorsource of uncertainty in determining ensembles and suggest that NMRinteractions such as RDCs and spin relaxation, on their own, do notcarry the necessary information needed to determine conformationalentropy at a useful level of precision. The framework introduced hereprovides a general approach for exploring degeneracies in ensembledetermination for different types of experimental data. [ABSTRACT FROM AUTHOR]

Background: Improvement of transduction and augmentation of cytotoxicity are crucial for adenoviruses (Ad)-mediated gene therapy for cancer. Down-regulated expression of type 5 Ad (Ad5) receptors on human tumors hampered Ad-mediated transduction. Furthermore, a role of the p53 pathways in cytotoxicity mediated by replication-competent Ad remained uncharacterized. Methods: We constructed replication-competent Ad5 of which the E1 region genes were activated by a transcriptional regulatory region of the midkine or the survivin gene, which is expressed preferentially in human tumors. We also prepared replication-competent Ad5 which were regulated by the same region but had a fiber-knob region derived from serotype 35 (AdF35). We examined the cytotoxicity of these Ad and a possible combinatory use of the replication-competent AdF35 and Ad5 expressing the wild-type p53 gene (Ad5/p53) in esophageal carcinoma cells. Expression levels of molecules involved in cell death, anti-tumor effects in vivo and production of viral progenies were also investigated. Results: Replication-competent AdF35 in general achieved greater cytotoxic effects to esophageal carcinoma cells than the corresponding replication-competent Ad5. Infection with the AdF35 induced cleavages of caspases and increased sub-G1 fractions, but did not activate the autophagy pathway. Transduction with Ad5/p53 in combination with the replication-competent AdF35 further enhanced the cytotoxicity in a synergistic manner. We also demonstrated the combinatory effects in an animal model. Transduction with Ad5/p53 however suppressed production of replication-competent AdF35 progenies, but the combination augmented Ad5/p53-mediated p53 expression levels and the downstream pathways. Conclusions: Combination of replication-competent AdF35 and Ad5/p53 achieved synergistic cytotoxicity due to enhanced p53-mediated apoptotic pathways. [ABSTRACT FROM AUTHOR]

We have demonstrated the laser ablation of PMMA using dual-color waveform synthesis of the fundamental (ω) and its second-harmonic (2ω) of a femtosecond Ti:Sapphire laser. A modest and yet clear modulation (~22%) in ablated area versus relative phase between the 2ω and ω beams with a power-ratio of 15% (28/183mW) is revealed. This is explained qualitatively by the dependence of ablation on multiphoton ionization of which the rate is related to the relative phase of the synthesized waveform. At higher peak power ratios, the modulation decreases rapidly, as the two-photon-ionization rate of the 2ω dominates over that of the three- to four- photon ionization of the ω beam. This technique demonstrates the feasibility of phase-controlled laser processing of materials. [ABSTRACT FROM AUTHOR]

Here, I provide an overview of the solid-state characteristics, phase transformations and chemical reactions of metoclopramide hydrochloride monohydrate (MCP HCl H 2 O). Three unique techniques, including thermoanalytical methods, one-step simultaneous differential scanning calorimetry (DSC) and Fourier transform infrared (FTIR) microspectroscopy, and hot-stage microscopic (HSM) imaging, have been applied to study the solid-state phase transitions of MCP HCl H 2 O in continuous dehydration, amorphization and recrystallization processes. I also review the effects of grinding or heating on ion-exchange reactions, milling, compression or colyophilization on Maillard reactions, and γ-ray irradiation or electron beams on radiolysis in the solid state. I also report the exposure of MCP HCl H 2 O in solution to light, irradiation, oxidants or π-acceptors. This review will serve as a useful keynote for the evolving realm of solid-state chemistry research. [ABSTRACT FROM AUTHOR]

Purpose: We validated the use of expression sequence tags (ESTs) as an effective method of screening for DNA segments that could predict urothelial cell carcinoma and for identifying ESTs with such predictive value. Patients and methods: From 2004 to 2009, eleven patients were enrolled in this study: six with high-grade bladder carcinoma and five with low-grade bladder carcinoma. ESTs were used to screen for differential gene expression in a high-grade cell line (MGH-U1) and in a premalignant cell line (MGH-U4). Immunohistochemistry and real-time reverse transcriptionpolymerase chain reaction were used to validate the degree of EST expression and the prognostic value of ESTs. Results: Apoferritin H subunit (FTH1 protein) exhibited increased expression in high-grade bladder carcinoma compared with that seen in low-grade carcinoma. Immunohistochemistry and real-time reverse transcription-polymerase chain reaction both supported the higher expression of FTH1 in high-grade urothelial carcinoma. Conclusion: ESTs are useful for detecting the FTH1 protein, which predicts the prognosis of patients with bladder carcinoma. [ABSTRACT FROM AUTHOR]

Crystal polymorphism of pharmaceuticals has well-known profound effects on the physical, chemical, and pharmaceutical properties of drugs, which can result in changes in the solubility, stability, dissolution, bioavailability, and efficacy of drugs. In this review article, famotidine (FAM), which has a well-known trade name of Pepcid®, was selected as a model drug. Although FAM has three polymorphs (forms A, B and C), forms A and B have been commonly discussed. The active pharmaceutical ingredient (API) in the commercial version of FAM is the metastable form B. FAM has been a concern of FDA because of the physical properties, solubilities, bioavailabilities, or bioequivalencies of the different polymorphic forms. In addition, a patent infringement suit of FAM polymorph had been made sound legal arguments in the pharmaceutical market. We review the solid-state characteristics, thermodynamics, polymorphic transformation, and quality control of FAM in drug products. In particular, pharmaceutical processes, such as grinding, compression, and heating temperature have a significant effect on the polymorphic transformation of FAM. Moreover, environmental humidity and residual water content should be well controlled to prevent polymorphic transformation of FAM during pharmaceutical processing. Several thermal and spectroscopic analytical techniques used for qualitative and quantitative determinations of polymorphic transformation of FAM after different treatments or quality control of FAM in the commercial tablets before and after the expiration dates have been discussed. [ABSTRACT FROM AUTHOR]

We report a potential application of a portable fiber-optic Raman spectroscopy for fast prostatic calculi diagnosis. A portable Raman analyzer with a fiber-optic probe was first used to identify and differentiate the mineral components of prostate stones. The study indicates that three types of stones, hydroxyapatite (HA) stone, calcium oxalate dehydrate (COD) stone and mixed stone including HA, calcium oxalate monohydrate (COM) and COD, were directly detected from 15 patients with prostatic calculi in a short time. The present study reveals that this portable fiber-optic Raman spectroscopic technique was an easy and fast 'real-time' tool to differentiate the mineral components in prostatic calculi. [ABSTRACT FROM AUTHOR]

Indium Tin Oxide (ITO) nanowhiskers (NWhs) obliquely evaporated by electron-beam glancingangle deposition can serve simultaneously as transparent electrodes and alignment layer for liquid crystal (LC) devices in the terahertz (THz) frequency range. To demonstrate, we constructed a THz LC phase shifter with ITO NWhs. Phase shift exceeding π/2 at 1.0 THz was achieved in a 517 lmthick cell. The phase shifter exhibits high transmittance (~78%). The driving voltage required for quarter-wave operation is as low as 5.66V (rms), compatible with complementary metal-oxidesemiconductor (CMOS) and thin-film transistor (TFT) technologies. [ABSTRACT FROM AUTHOR]

Ocular calcification is a biological mineralization. It is also a well-known human ophthalmic disease but is a complex process because the pathophysiology of calcium deposition in ocular tissues depends on site-specific factors. Calcified deposits in the eyes are asymptomatic lesions; a serious consequence of ocular plaques is the potential partial or total loss of vision in the affected eye. Therefore, a better understanding of the exact compositional components and origin of calcified plaques in different eye tissues is necessary and merits exploration. The present review article includes information on different diagnostic or analytical techniques to examine human ocular calcification collected and compiled from 2005 to 2013, together with data on the application of vibrational spectroscopy in ophthalmology studies from 1990 onwards. This overview of ocular calcification is mainly focused on two aspects: the pathogenesis and mechanism of calcification in different ocular tissues and biomedical applications of vibrational spectroscopy to spectral biodiagnosis of eye tissues. A summary of the in vitro, in situ, and in vivo spectral information that is expected to assist physicians in the diagnosis and treatment of patients or satisfy patients of the clinical competence of the diagnosis is provided. [ABSTRACT FROM AUTHOR]

Background: Identifying novel tumor biomarkers to develop more effective diagnostic and therapeutic strategies for patients with ACC is urgently needed. The aim of the study was to compare the proteomic profiles between adrenocortical carcinomas (ACC) and normal adrenocortical tissues in order to identify novel potential biomarkers for ACC. Methods: The protein samples from 12 ACC tissues and their paired adjacent normal adrenocortical tissues were profiled with two-dimensional electrophoresis; and differentially expressed proteins were identified by mass spectrometry. Expression patterns of three differently expressed proteins calreticulin, prohibitin and HSP60 in ACC, adrenocortical adenomas (ACA) and normal adrenocortical tissues were further validated by immunohistochemistry. Results: In our proteomic study, we identified 20 up-regulated and 9 down-regulated proteins in ACC tissues compared with paired normal controls. Most of the up-regulated proteins were focused in protein binding and oxidoreductase activity in Gene Ontology (GO) molecular function classification. By immunohistochemistry, two biomarkers calreticulin and prohibitin were validated to be overexpressed in ACC compared with adrenocortical adenomas (ACA) and normal tissues, but also calreticulin overexpression was significantly associated with tumor stages of ACC. Conclusion: For the first time, calreticulin and prohibitin were identified to be novel candidate biomarkers for ACC, and their roles during ACC carcinogenesis and clinical significance deserves further investigation. Virtual slides: The virtual slides for this article can be found here: http://www.diagnosticpathology.diagnomx.eu/vs/ 1897372598927465. [ABSTRACT FROM AUTHOR]

Electron paramagnetic resonance (EPR) is used to identify the intrinsic electron small polaron in TiO2 crystals having the rutile structure. These self-trapped electrons are produced at very low temperature with 442 nm laser light. The defects form when a Ti4+ ion at a regular lattice site traps an electron and converts to a Ti3+ (3d1) ion. They become thermally unstable above ~15 K. An activation energy of 24 meV describes this "release" of the electrons (either by a hopping motion or directly to the conduction band). The g matrix is obtained from the angular dependence of the EPR spectrum. Principal values are 1.9807, 1.9786, and 1.9563 and principal axes are along high-symmetry directions in the crystal. The unpaired electron occupies an ¶x2-y2> orbital where x and y are in the equatorial plane of the TiO6 unit and y is the [001] direction. These intrinsic small polarons serve as a prototype for many of the defect- associated Ti3+ ions often observed in this material. They also can be used as a computational test case to evaluate the validity of different approximations presently being employed in density-functional- theory modeling of point defects in TiO2 and other transition-metal oxides. [ABSTRACT FROM AUTHOR]

Aconitum, widely used to treat rheumatoid arthritis for thousands of years, is a toxic herb that can frequently cause fatal cardiac poisoning. Aconitum toxicity could be decreased by properly hydrolyzing diester-diterpene alkaloids into monoester-diterpene alkaloids. Monoester-diterpene alkaloids, including benzoylaconine (BAC), benzoylmesaconine (BMA), and benzoylhypaconine (BHA), are the primary active and toxic constituents of processed Aconitum. Cytochrome P450 (CYP) enzymes protect the human body by functioning as the defense line that limits the invasion of toxicants. Our purposes were to identify the CYP metabolites of BAC, BMA, and BHA in human liver microsomes and to distinguish which isozymes are responsible for their metabolism through the use of chemical inhibitors, monoclonal antibodies, and cDNA-expressed CYP enzyme. High-resolution mass spectrometry was used to characterize the metabolites. A total of 7,8, and 9 metab olites were detected for BAC, BMA, and BHA, respectively. The main metabolic pathways were demethylation, dehydrogenation, demethylation-dehydrogenation, hydroxylation and didemethylation, which produced less toxic metabolites by decomposing the group responsible for the toxicity of the parent compound. Taken together, the results of the chemical inhibitors, monoclonal antibodies, and cDNA-expressed CYP enzymes experiments demonstrated that CYP3A4 and CYP3A5 have essential functions in the metabolism of BAC, BMA, and BHA. [ABSTRACT FROM AUTHOR]

Abstract: Objective: The forkhead box M1 (FOXM1) transcription factor plays crucial roles in regulating the proliferation, differentiation, and transformation of cells. Overexpression of FOXM1 is associated with a variety of aggressive solid carcinomas, including cervical cancer. However, the precise role and molecular mechanism responsible for the aggressive action of FOXM1 in cervical cancer remain unclear. This study investigated the cellular and molecular aggressive function of FOXM1 in cervical cancer. Methods: The FOXM1 gene and protein expression profiles were determined by quantitative polymerase chain reaction, Western blotting and immunohistochemical staining, and other cellular and molecular approaches including gene transfection, short hairpin RNA interference (RNAi), and wound‐healing, migration, and invasion assays. Results: FOXM1 expression was significantly up-regulated at both mRNA and protein levels in early-stage cervical cancer, compared to cervical intraepithelial neoplasia and normal cervical tissues. High levels of FOXM1 expression were significantly associated with aggression in cervical cancer, and were an independent prognostic factor for poor survival in early-stage cervical cancer patients. Moreover, enforced expression of FOXM1 increased migration and invasion of cancer cells, whereas RNAi-mediated knockdown of FOXM1 had the opposite effect. In addition, up-regulation of FOXM1 increased the expression of matrix metalloproteinase-2 (MMP-2) and MMP-9 in vitro and in vivo, and activated the Akt/glycogen synthase kinase-3β/Snail pathway, resulting in the promotion of migration and invasion of cervical cancer cells. Conclusions: These results suggest that FOXM1 up-regulation is associated with poor prognosis in early-stage cervical cancer, and therefore it may act as a prognostic marker and a new potential target for cervical cancer treatment. [Copyright &y& Elsevier]

Abstract: Raman spectroscopy was used to detect adulterants such as high fructose corn syrup (HFCS) and maltose syrup (MS) in honey. HFCS and MS were each mixed with authentic honey samples in the following ratios: 1:10 (10%), 1:5 (20%) and 1:2.5 (40%, w/w). Adaptive iteratively reweighted penalized least squares (airPLS) was chosen to remove background of spectral data. Partial least squares-linear discriminant analysis (PLS-LDA) was used to develop a binary classification model. Classification of honey authenticity using PLS-LDA showed a total accuracy of 91.1% (authentic honey vs. adulterated honey with HFCS), 97.8% (authentic honey vs. adulterated honey with MS) and 75.6% (authentic honey vs. adulterated honey with HFCS and MS), respectively. Classification of honey adulterants (e.g. HFCS or MS) using PLS-LDA gave a total accuracy of 84.4%. The results showed that Raman spectroscopy combined with PLS-LDA was a potential technique for detecting adulterants in honey. [Copyright &y& Elsevier]

Purpose: The management of ovarian cancer during pregnancy is still a big challenge, mostly due to the reciprocal impacts between cancer and pregnancy. The objective of this article is to present a rare case of maternal ovarian adenocarcinoma and review published similar cases about this clinical condition. Materials and methods: Here we report a rare case of maternal ovarian adenocarcinoma detected during gestational week 6, with good pregnancy outcome treated with conservative surgery. Results and discussion: A case of maternal ovarian adenocarcinoma (stage I) was detected in week 6 of pregnancy receiving conservative surgery without chemotherapy. In week 39 of pregnancy, due to relapse of the cancer, the patient underwent excision of the isolated tumor, and gave birth to a healthy baby through cesarian section. After that, the patient received cytoreductive surgery associated with six chemotherapy. The patient was finally diagnosed as epithelial ovarian cancer stage IIIC, and had survived more than 5 years without relapse. The successful experience from this case suggested that pregnancy complicated with early ovarian cancer receiving conservative surgery could continue to pregnancy and the effect of cesarian section followed with cytoreductive surgery associated with six chemotherapy at full term was still satisfied. [ABSTRACT FROM AUTHOR]

The aim of this work was to investigate the transformation behavior of metoclopramide HCl with monohydrate (MCP HCl H2O) using differential scanning calorimetry (DSC), thermogravimetric analysis, hot-stage microscopy (HSM), and thermal micro-Raman spectroscopy. The results of the present study indicate that the three-step phase transformation of MCP HCl H2O was clearly determined via the thermal-dependant Raman spectral changes. These three steps of phase transformation were dehydration, recrystallization, and new crystal formation, which were markedly correlated with the endothermic and exothermic results of DSC study and the observations of HSM. The results generally evidence that MCP HCl H2O crystals were first dehydrated to form an anhydrous sample, then recrystallized and transformed to a new crystal form of MCP HCl. Copyright © 2011 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Abstract: The solid-state chemistry of drugs has seen growing importance in the pharmaceutical industry for the development of useful API (active pharmaceutical ingredients) of drugs and stable dosage forms. The stability of drugs in various solid dosage forms is an important issue because solid dosage forms are the most common pharmaceutical formulation in clinical use. In solid-state stability studies of drugs, an ideal accelerated method must not only be selected by different complicated methods, but must also detect the formation of degraded product. In this review article, an analytical technique combining differential scanning calorimetry and Fourier-transform infrared (DSC–FTIR) microspectroscopy simulates the accelerated stability test, and simultaneously detects the decomposed products in real time. The pharmaceutical dipeptides aspartame hemihydrate, lisinopril dihydrate, and enalapril maleate either with or without Eudragit E were used as testing examples. This one-step simultaneous DSC–FTIR technique for real-time detection of diketopiperazine (DKP) directly evidenced the dehydration process and DKP formation as an impurity common in pharmaceutical dipeptides. DKP formation in various dipeptides determined by different analytical methods had been collected and compiled. Although many analytical methods have been applied, the combined DSC–FTIR technique is an easy and fast analytical method which not only can simulate the accelerated drug stability testing but also at the same time enable to explore phase transformation as well as degradation due to thermal-related reactions. This technique offers quick and proper interpretations. [Copyright &y& Elsevier]

Abstract: The past several decades have seen the development of many controlled-release preparations featuring constant release rates to maintain drug concentrations in the human body, regardless of the patient''s physiological condition. However, long-term constant drug concentrations in the blood and tissue can cause problems such as resistance, tolerability, and drug side effects. People vary considerably in their physiological and biochemical conditions during any 24h period, due to the circadian rhythm, and thus, the constant delivery of a drug into the body seems both unnecessary and undesirable. If the drug release profile mimics a living system''s pulsatile hormone secretion, then it may improve drug efficacy, and reduce the toxicity of a specific drug administration schedule. Medication and treatments provided according to the body''s circadian rhythms will result in better outcomes. This may be provided by a chronopharmaceutical dosage regimen with pulsatile release that matches the circadian rhythm resulting from a disease state, so optimizing the therapeutic effect while minimizing side effects. The press coating technique is a simple and unique technology used to provide tablets with a programmable lag phase, followed by a fast, or rate-controlled, drug release after administration. The technique offers many advantages, and no special coating solvent or coating equipment is required for manufacturing this type of tablet. The present review article introduces chronopharmaceutical press-coated products from a patient physiological needs perspective. The contents of this article include biological rhythms and pulsatile hormone secretion in humans, the reasons for using pulsatile drug delivery for disease treatment, recent chronopharmaceutical preparations appearing on the market, updated compilation of all research articles and press-coated delivery techniques, factors affecting the performance and drug release characteristics of press-coated delivery systems, and recent challenges for the press coating technique. We also provide a brief overview of press-coating approaches intended for chronotherapy. [Copyright &y& Elsevier]

Abstract: The interaction of poor water-soluble drug loratadine (LOR) with β-cyclodextrin (β-CD) or hydroxypropyl-β-cyclodextrin (HP-β-CD) in aqueous or solid state was investigated. Mechanical grinding effect on the inclusion steps, thermodynamic kinetics and inclusion efficiency of inclusion complex formation of LOR with β-CD or HP-β-CD was quantitatively investigated by DSC and FT-IR microspectroscopy with curve-fitting analysis. The phase solubility profiles of LOR with β-CD and HP-β-CD were classified as AL-type phase diagram. The grinding-induced reduction in LOR crystallinity in the presence of β-CD or HP-β-CD was found to be apparent zero-order kinetics. The inclusion efficiency of solid inclusion complex for LOR/β-CD or LOR/HP-β-CD was significantly correlated with the reduction in LOR crystallinity and the grinding time. The mechanism of inclusion complex formation for LOR/β-CD or LOR/HP-β-CD was proposed through the progressive reduction in LOR crystallinity, the promoted LOR amorphization, and molecular inclusion processes in the continuous energy input process of mechanical grinding. [Copyright &y& Elsevier]

Abstract: Underwater contact explosion involves lots of complex issues such as high speed, strong compression, large deformation and density ratio, multi-phase flow, etc., which makes the numerical simulation extremely difficult. In this paper, a modified SPH approach based on volume approximation is applied and the entire process of shock wave propagation and structure destruction is successfully simulated. Results show that the modified method remains effective at interfaces with high density ratio, with no distortion of physical quantities. Therefore, the method has advantages of solving problems involving high speed, strong compression and high density ratio. In addition, shock wave propagation characteristics and a steel failure mode are found with simulation, which can be valuable reference for structural design of naval architecture and engineering of underwater explosion. [Copyright &y& Elsevier]

In order to overcome the inaccuracy of the forecast of a single model, a new optimal weight combination model is established to increase accuracies in precipitation forecasting, in which three forecast submodels based on rank set pair analysis (R-SPA) model, radical basis function (RBF) model and autoregressive model (AR) and one weight optimization model based on improved real-code genetic algorithm (IRGA) are introduced. The new model for forecasting precipitation time series is tested using the annual precipitation data of Beijing, China, from 1978 to 2008. Results indicate the optimal weights were obtained by using genetic algorithm in the new optimal weight combination model. Compared with the results of R-SPA, RBF, and AR models, the new model can improve the forecast accuracy of precipitation in terms of the error sum of squares. The amount of improved precision is 22.6%, 47.4%, 40.6%, respectively. This new forecast method is an extension to the combination prediction method. [ABSTRACT FROM AUTHOR]

Abstract: The effects of additives on conformational stability and structural similarity of salmon calcitonin (sCT) in aqueous solution and lyophilized solid form were investigated by using transmission Fourier transform infrared (FT-IR) microspectroscopy with second-derivative spectral analysis. To compare the structural similarity between native sCT and lyophilized sCT samples with or without additive, the spectral correlation coefficient analysis between two second-derivative IR spectra was applied. Two types of additives were also selected: sugars/polols [trehalose, sucrose, mannitol and 2-hydroxypropyl-β-cyclodextrin (HP-βCD)] and polymers [dextran, heparin and human serum albumin (HSA)]. When trehalose, mannitol or dextran was respectively co-incubated with sCT in 40°C aqueous solution, these additives slightly changed the secondary conformation of sCT. However, sucrose or HP-βCD accelerated the intramolecular β-sheet formation of sCT due to the appearance of IR peak at 1631cm−1. A precipitation was occurred in the sCT aqueous solution after co-incubation with heparin or HSA, in which the ionic interaction and/or hydrophobic adsorption might be responsible for this result. A strong peak at 1630cm−1 (intramolecular β-sheet) with a minor peak at 1618cm−1 (intermolecular β-sheet) was also evidenced in the second-derivative IR spectrum of the sCT precipitate. The secondary conformation of native sCT after lyophilization was markedly altered from the predominant α-helix to random coil/β-sheet structures, but trehalose, mannitol or sucrose had the greatest stabilization effect on the lyophilized sCT due to a higher structural similarity. The secondary structure of sCT was perturbed during co-lyophilization with HP-βCD, dextran, heparin or HSA. The result of this study indicates that both mannitol and trehalose would serve as optimal stabilizers for sCT in both aqueous solution and lyophilized formulation. [Copyright &y& Elsevier]

The specificity and homogeneity of the real compositional components within the calcified deposits of prostatic calculi and calcific tendonitis were investigated using Fourier transform infrared (FT-IR) microspectroscopy with or without automatic imaging system. The second-derivative analysis was also applied to differentiate the overlapping components of individual spectra for the calcified samples. The FT-IR microscopic imaging results of present study indicate that the complicated components such as protein, type B or type A carbonated apatite, brushite and calcium oxalate monohydrate were contained in the calcified tissue of prostatic tissue, but the protein, type A and type B carbonated apatites were mainly included in the calcific tendonitis. However, the traditional manually single-point FT-IR spectral result only reveals a little component contained in the calcified tissues, leading to an inaccurate diagnose of the complicated components in the calcified mixture. [ABSTRACT FROM AUTHOR]

Abstract: A simple and accurate method has been developed to simultaneously separate and determine 10 bioactive compounds in citrus fruits by high-performance liquid chromatography coupled with diode array detection and electrospray ionisation mass spectrometry (HPLC-DAD–ESI/MS). This HPLC assay was performed on a reversed-phase C18 column with acetonitrile and 0.1% (v/v) aqueous formic acid as mobile phase. DAD has been performed at 273, 283 and 324nm for quantification of the alkaloids, flavanones and hydroxycinnamic acids. MS was also employed to identify the each analyte. Ten analytes (naringin, hesperidin, neohesperidin, ferulic acid, p-coumaric acid, chlorogenic acid, caffeic acid, octopamine, synephrine and tyramine) demonstrated good linearity (r ⩾0.9990) in a relatively wide concentration range. The method revealed high average recovery (range, 92.1–97.9%) and good precision with interday and intraday variations with less than 4.71%. The limits of detection (LODs) ranged from 0.02 to 0.11μg/ml, while the limits of quantification (LOQs) were defined in the range of 0.08–0.39μg/ml. The proposed method has been successfully applied to analyse three types of bioactive constituents in eight citrus hybrids pulps and eight citrus hybrids peels, which has been successfully cultivated in China. [Copyright &y& Elsevier]

wareness of the chemical composition of prostatic calculi is of great importance for pathogenesis of prostatic lithiasis, the feasibility of FTIR microspectroscopic mapping system used for rapidly screening and detecting the real composited components of prostatic calculi in a short time was initially evaluated. Prostatic calculi were retrieved during transurethral resection of the prostate from nine patients diagnosed having benign prostatic hyperplasia with lower urinary tract symptoms. The level of serum prostatic-specific antigen was within 0-12.63 ng/ml. The calculi samples were examined and compared using FTIR microspectroscopic mapping system, or the traditional FTIR and Raman microspectroscopies. The traditional FTIR microspectroscopic results indicate that nine calculi samples mainly consisted of carbonated HA (hydroxyapatite), but calcium oxalate (undifferentiated) might be also detected in some samples . However, Raman spectral results could detect three components, HA, COM (calcium oxalate monohydrate) or COD (calcium oxalate dihydrate) separated in nine samples. Different compositions in the prostatic calculi were obtained by both spectroscopic detections with manual single-point random analysis implying that both manually traditional methods were failed to provide the real chemical composition of the prostatic calculi in a short time. The FTIR microscopic mapping system via point-by-point mapping analysis evidenced that it could rapidly detect all the complicated components distributed within the prostatic calculi rather than uncertain components detected by traditional FTIR or Raman microspectroscopy. More studies should be carried out in future. This preliminary result suggests that the FTIR mapping better characterizes the stone composition over single-point FTIR and Raman microscopic analysis in prostatic calculi. [ABSTRACT FROM AUTHOR]

Abstract: We first report that the formation of pharmaceutical co-crystal can be synchronously screened and confirmed by a simultaneous DSC-FTIR microspectroscopic system, in which this combined unique system giving spectroscopic and thermodynamic information could provide a easy and direct way for one step screening and qualitative detection of the co-crystal formation in real time. [Copyright &y& Elsevier]

By controlling the reflux time and the quantity of the shell materials, different sizes of thioglycollic acid (TGA) modified CdTe/CdSe core/shell quantum dots were synthesized in aqueous solution. This type of QDs was used for sensitive and selective determination of ascorbic acid in commercial tablets. Under optimal conditions, a good linearity was observed between the relative fluorescence (FL) intensity and the concentration of ascorbic acid in the range of 4.0 to 64.0 μg/mL with a correlation coefficient of 0.9968. The limit of detection was 2.4 μg/mL. This method was applied to the determination of the ascorbic acid in Vitamin C tablets and Vitamin C Yinqiao pills, and satisfactory results were obtained. [ABSTRACT FROM AUTHOR]

The influence of boundary roughness characteristics on the rate of dissipation in a viscous fired is analyzed using shape calculus from the theory of optimal control of systems governed by partial differential equations. To study the mapping D from surface roughness topography to the dissipation rate of a Navier-Stokes flow, expressions for the shape gradient and Hessian are determined using the velocity method. In the case of Couette and Poiseuille flows, a fiat boundary is a local minimum of the dissipation rate functional. Thus, for small roughness heights the behavior of D is governed by the fiat-wall shape Hessian operator, whose eigenfunctions are shown to be the Fourier modes. For Stokes flow, the shape Hessian is determined analytically and its eigenvalues are shown to grow linearly with the wavenumber of the shape perturbation. For Navier-Stokes flow, the shape Hessian is computed numerically, and the ratio of its eigenvalues to those of a Stokes flow depend only on the Reynolds number based on the wavelength of the perturbation. The consequences of these results on the analysis of the effects of roughness on fluid flows are discussed. [ABSTRACT FROM AUTHOR]