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Online self-reported 24-h dietary recall systems promise increased feasibility of dietary assessment. Comparison against interviewer-led recalls established their convergent validity; however, reliability and criterion-validity information is lacking. The validity of energy intakes (EI) reported using Intake24, an online 24-h recall system, was assessed against concurrent measurement of total energy expenditure (TEE) using doubly labelled water in ninety-eight UK adults (40-65 years). Accuracy and precision of EI were assessed using correlation and Bland-Altman analysis. Test-retest reliability of energy and nutrient intakes was assessed using data from three further UK studies where participants (11-88 years) completed Intake24 at least four times; reliability was assessed using intra-class correlations (ICC). Compared with TEE, participants under-reported EI by 25 % (95 % limits of agreement -73 % to +68 %) in the first recall, 22 % (-61 % to +41 %) for average of first two, and 25 % (-60 % to +28 %) for first three recalls. Correlations between EI and TEE were 0·31 (first), 0·47 (first two) and 0·39 (first three recalls), respectively. ICC for a single recall was 0·35 for EI and ranged from 0·31 for Fe to 0·43 for non-milk extrinsic sugars (NMES). Considering pairs of recalls (first two v. third and fourth recalls), ICC was 0·52 for EI and ranged from 0·37 for fat to 0·63 for NMES. EI reported with Intake24 was moderately correlated with objectively measured TEE and underestimated on average to the same extent as seen with interviewer-led 24-h recalls and estimated weight food diaries. Online 24-h recall systems may offer low-cost, low-burden alternatives for collecting dietary information.

Background: The Abraham general solvation model can be used in a broad set of scenarios involving partitioning and solubility, yet is limited to a set of solvents with measured Abraham coefficients. Here we extend the range of applicability of Abraham's model by creating open models that can be used to predict the solvent coefficients for all organic solvents., Results: We created open random forest models for the solvent coefficients e, s, a, b, and v that had out-of-bag R(2) values of 0.31, 0.77, 0.92, 0.47, and 0.63 respectively. The models were used to suggest sustainable solvent replacements for commonly used solvents. For example, our models predict that propylene glycol may be used as a general sustainable solvent replacement for methanol., Conclusion: The solvent coefficient models extend the range of applicability of the Abraham general solvation equations to all organic solvents. The models were developed under Open Notebook Science conditions which makes them open, reproducible, and as useful as possible. Graphical AbstractChemical space for solvents with known Abraham coefficients.

Background: Calculating Abraham descriptors from solubility values requires that the solute have the same form when dissolved in all solvents. However, carboxylic acids can form dimers when dissolved in non-polar solvents. For such compounds Abraham descriptors can be calculated for both the monomeric and dimeric forms by treating the polar and non-polar systems separately. We illustrate the method of how this can be done by calculating the Abraham descriptors for both the monomeric and dimeric forms of trans-cinnamic acid, the first time that descriptors for a carboxylic acid dimer have been obtained., Results: Abraham descriptors were calculated for the monomeric form of trans-cinnamic acid using experimental solubility measurements in polar solvents from the Open Notebook Science Challenge together with a number of water-solvent partition coefficients from the literature. Similarly, experimental solubility measurements in non-polar solvents were used to determine Abraham descriptors for the trans-cinnamic acid dimer., Conclusion: Abraham descriptors were calculated for both the monomeric and dimeric forms of trans-cinnamic acid. This allows for the prediction of further solubilities of trans-cinnamic acid in both polar and non-polar solvents with an error of about 0.10 log units. Graphical abstractMolar concentration of trans-cinnamic acid in various polar and non-polar solvents.

We describe a synthesis strategy for the preparation of lysine isotopologues that differ in mass by as little as 6 mDa. We demonstrate that incorporation of these molecules into the proteomes of actively growing cells does not affect cellular proliferation, and we discuss how to use the embedded mass signatures (neutron encoding (NeuCode)) for multiplexed proteome quantification by means of high-resolution mass spectrometry. NeuCode SILAC amalgamates the quantitative accuracy of SILAC with the multiplexing of isobaric tags and, in doing so, offers up new opportunities for biological investigation. We applied NeuCode SILAC to examine the relationship between transcript and protein levels in yeast cells responding to environmental stress. Finally, we monitored the time-resolved responses of five signaling mutants in a single 18-plex experiment., (© 2014 by The American Society for Biochemistry and Molecular Biology, Inc.)

Background: Drinking goals at treatment entry are a promising, yet under-studied mechanism of change in alcohol use following treatment. It is not known who, upon treatment entry, is likely to desire abstinence as a drinking goal and whether desiring abstinence as a drinking goal influences alcohol use following treatment., Methods: Data from a 2.5-year longitudinal study of alcohol-dependent adults from 3 treatment sites is examined in a secondary data analysis. At treatment entry, participants reported sociodemographic and clinical characteristics, as well as whether they desired abstinence as a drinking goal or not. At each subsequent wave, participants reported their alcohol use., Results: Bivariate analyses showed that individuals from a VA outpatient treatment site, men, and racial or ethnic minorities were most likely to desire abstinence as a drinking goal at treatment entry. Multi-level mixed effects regression models indicated that individuals who at baseline desired abstinence as a drinking goal sustained higher percentage of days abstinent and higher percentage of days since last drink 2.5 years following treatment entry, compared to individuals who did not desire abstinence., Conclusions: Understanding who is most likely to desire the specific drinking goal of abstinence can assist clinicians in anticipating client response to goal setting. Furthermore, by understanding the benefits and risks associated with drinking goals, clinicians can focus attention to individuals who desire a more risk-laden goal, including goals of non-abstinence, and tailor interventions, including motivational interviewing techniques, to support effective goals., (Published by Elsevier Ireland Ltd.)

Over 80% of people with social anxiety disorder (SAD) do not receive any type of treatment, despite the existence of effective evidence-based treatments. Barriers to treatment include lack of trained therapists (particularly in nonmetropolitan areas), logistical difficulties (e.g., cost, time, transportation), concerns regarding social stigma, and fear of negative evaluation from health care providers. Interventions conducted through electronic communication media, such as the Internet, have the potential to reach individuals who otherwise would not have access to evidence-based treatments. Second Life is an online virtual world that holds great promise in the widespread delivery of evidence-based treatments. We assessed the feasibility, acceptability, and initial efficacy of an acceptance-based behavior therapy in Second Life to treat adults with generalized SAD. Participants (n=14) received 12 sessions of weekly therapy and were assessed at pretreatment, midtreatment, posttreatment, and follow-up. Participants and therapists rated the treatment program as acceptable and feasible, despite frequently encountered technical difficulties. Analyses showed significant pretreatment to follow-up improvements in social anxiety symptoms, depression, disability, and quality of life, with effect sizes comparable to previously published results of studies delivering in-person cognitive behavior therapy for SAD. Implications and future directions are discussed., (Copyright © 2012. Published by Elsevier Ltd.)

Purpose: To describe the manual no-fold push-in technique for Descemet stripping automated endothelial keratoplasty (DSAEK) graft insertion and analyze postoperative endothelial cell loss., Methods: Twenty consecutive patients underwent DSAEK surgery using the manual no-fold push-in technique. This insertion technique uses a 6-mm limbal wound, a Sheets glide, and a Sinskey hook without the need for an inserter or additional instrumentation., Results: Three patients developed graft dislocation, requiring re-bubbling. No primary graft failures were encountered. With an average postoperative follow-up of 13.22 months (SD, 7.94; range, 2.23-26.87), average automated endothelial cell count was 2329.62 cells per mm (SD, 312.78; range, 1657-2928) and the average cell loss was 23.31% (SD, 11.33; range, 5.56-42.76)., Conclusions: This technique uses standard instrumentation and is simple to perform. This series demonstrates that manual graft insertion techniques can be effectively used in DSAEK surgery and provide patients with excellent postoperative results.

This study compares 41 Black and 124 White adolescents at intake and discharge from a residential treatment program for substance-use disorders. Study data were obtained as part of a larger study (N = 195) that sought to assess the relationship of helping behavior and addiction recovery. This post-hoc analysis aims to identify cultural strengths that may be associated with recovery from substance-use disorders among Black adolescents. Using regression analyses and controlling for the severity of substance use and background variables that distinguish racial groups, religious practices and behaviors at intake were examined. Specifically, Black youth and White youth were compared on treatment outcomes, including alcohol or drug use during treatment, drug craving, 12-Step work, and 12-Step helping. The burden of health and socioeconomic disparities at intake did not disproportionately disfavor Black adolescents. Outcomes related to 12-Step measures were similar between Black and White youth. White adolescents reported higher craving scores at discharge, and Black adolescents were more likely to use drugs during treatment. High levels of religiousness at treatment intake were linked to greater 12-Step work and greater 12-Step helping at discharge. High levels of religiousness at intake were not related to drug use during treatment or to craving scores at discharge. The relationship between intake levels of religiousness and treatment-related outcomes did not differ by race.

The continual rise in the U.S. military's suicide rate since 2004 is one of the most vexing issues currently facing military leaders, mental health professionals, and suicide experts. Despite considerable efforts to address this problem, however, suicide rates have not decreased. The authors consider possible reasons for this frustrating reality, and question common assumptions and approaches to military suicide prevention. They further argue that suicide prevention efforts that more explicitly embrace the military culture and implement evidence-based strategies across the full spectrum of prevention and treatment could improve success. Several recommendations for augmenting current efforts to prevent military suicide are proposed.

Objective: Although women make up one third of Alcoholics Anonymous (AA) membership, research on gender and AA has been limited. Findings in the literature are mixed, with few empirical investigations of factors that may moderate any gender differences found. AA is highly interpersonal, and research has found that women are more extroverted than men. The current study explores the impact of AA on sobriety, gender differences in the relationship between AA and sobriety, and whether extroversion can inform our understanding of gender differences., Method: A sample of 276 alcohol-dependent adults (180 men, 96 women) was recruited from four sites and followed prospectively for 2.5-3 years. Participants completed the Timeline Followback interview. AA membership was assessed by an item from the Alcoholics Anonymous Involvement scale. Multiple logistic regression analyses were conducted to determine whether gender, extroversion, AA membership, and their interaction would predict sobriety status at follow-up., Results: AA membership significantly increased the odds of achieving a year of sobriety, and this relationship was stronger for women than men (odds ratio [OR] = 4.42, 95% CI [1.14, 17.18]). There were no main or interactive effects of extroversion on sobriety., Conclusions: A A was founded by men, and early in its history it was exclusively attended by men. Some have criticized AA for women because of its emphasis on "powerlessness." Despite its historical beginnings and such debate, this study joins others in finding evidence that women fare better in AA than do men. In this sample, extroversion did not moderate the association between gender and sobriety. Further research is needed on gender differences in AA and its explanatory factors.

Background: The Blue Obelisk movement was established in 2005 as a response to the lack of Open Data, Open Standards and Open Source (ODOSOS) in chemistry. It aims to make it easier to carry out chemistry research by promoting interoperability between chemistry software, encouraging cooperation between Open Source developers, and developing community resources and Open Standards., Results: This contribution looks back on the work carried out by the Blue Obelisk in the past 5 years and surveys progress and remaining challenges in the areas of Open Data, Open Standards, and Open Source in chemistry., Conclusions: We show that the Blue Obelisk has been very successful in bringing together researchers and developers with common interests in ODOSOS, leading to development of many useful resources freely available to the chemistry community.

Purpose: To compare a binocular free-viewing autorefractor pupillometer (WAM 5500 Binocular Accommodation Instrument) and a monocular occlusion pupillometer (Neuroptics pupillometer)., Setting: Department of Ophthalmology and Visual Sciences, Texas Tech University Health Sciences Center, Lubbock, Texas, USA., Design: Evaluation of diagnostic test or technology., Methods: Normal subjects were tested under 1 lux and 7 lux ambient illumination with controlled distance fixation. The monocular occlusion pupillometer and free-viewing autorefractor pupillometer test order and eye test order were randomized. Devices were compared using Bland-Altman plots. Effects of eye test order and device test order were analyzed. The number of outliers (ie, difference ≥ 0.5 mm between devices) was tabulated., Results: The mean device difference (monocular pupillometer minus binocular pupillometer) was +0.51 mm ± 0.36 (SD) (range -0.20 to +1.50 mm) in right eyes and +0.27 ± 0.31 mm (SD) (range -0.30 to +1.00 mm) in left eyes at 1 lux and +0.26 ± 0.28 mm (range -0.30 to +0.90 mm) and +0.21 ± 0.24 mm (range -0.80 to +0.40 mm), respectively, at 7 lux. The outlier frequency (N = 49) at 1 lux was 23 (47%) in right eyes and 7 (14%) in left eyes and at 7 lux, 11 (22%) and 10 (20%), respectively. At all age decades, the free-viewing autorefractor underestimated dark-adapted pupil diameter. Eye test order and device order did not cause unidirectional bias., Conclusions: The free-viewing pupillometer frequently disagreed with the monocular occlusion pupillometer by more than 0.5 mm. Testing the first eye with the monocular pupillometer did not induce sustained pupillary constriction that might bias results in the second eye., (Copyright © 2011 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.)

Purpose: To compare the performance of the Marco Nidek ARK-530A autorefractor pupillometer function and the Keeler PupilScan II pupillometer (study pupillometer) against the clinical standard NeurOptics PLR-200 pupillometer (standard pupillometer) for measurement of the dark-adapted pupil diameter., Setting: Department of Ophthalmology and Visual Sciences, Texas Tech University Health Sciences Center, Lubbock, Texas, USA., Design: Evaluation of diagnostic test or technology., Methods: Subjects aged 20 to 60 years were dark-adapted for 2 minutes at 1 lux ambient illumination. Accommodation was controlled through distance fixation. The dark-adapted pupil diameter was measured with the standard pupillometer, then the study pupillometer, then the autorefractor. Results were compared using Bland-Altman graphs., Results: The autorefractor underestimated the dark-adapted pupil diameter by a mean of 1.03 mm (range 0.0 to 2.3 mm). Thirty-four (85%) measurements were at least 0.5 mm smaller than the corresponding standard pupillometer values, and 16 (40%) were more than 1.0 mm smaller. Observer experience did not improve accuracy. The study pupillometer underestimated the dark-adapted pupil diameter by a mean of 0.31 mm (range 0.0 to 0.9 mm). Ten (25%) measurements were at least 0.5 mm smaller than the standard pupillometer values. Accuracy improved in the final 10 subjects (study pupillometer smaller; mean difference 0.16 mm; range 0.0 to 0.4 mm)., Conclusions: The autorefractor pupillometry function had an unpredictable negative bias (variable underestimation of dark-adapted pupil diameter). The study pupillometer had a slight negative bias but required significant examiner skill and knowledge of normal pupil movement to obtain a valid result. Neither device was sufficiently accurate for confident surgical planning or clinical diagnosis., Financial Disclosure: Neither author has a financial or proprietary interest in any material or method mentioned., (Copyright © 2011 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.)

Purpose: To measure the dark-adapted pupil diameter of normal research participants in their second through ninth decades of life using the NeurOptics pupillometer (Neuroptics Inc)., Methods: Individuals aged 18 to 80 years with no history of eye disease or injury, intraocular surgery, or use of systemic antihistamines or opiates were recruited. After 2 minutes of adaptation at 1 lux illumination, the right dark-adapted pupil diameter was measured using the NeurOptics pupillometer, with accommodation controlled by distance fixation. The NeurOptics pupillometer reported a mean dark-adapted pupil diameter and a standard deviation of the mean, which were analyzed as a function of age-decade., Results: Two-hundred sixty-three individuals participated. For participants aged 18 to 19 years (n=6), the mean dark-adapted pupil diameter was 6.85 mm (range: 5.6 to 7.5 mm); 20 to 29 years (n=66), 7.33 mm (range: 5.7 to 8.8 mm); 30 to 39 years (n=50), 6.64 mm (range: 5.3 to 8.7 mm); 40 to 49 years (n=51), 6.15 mm (range: 4.5 to 8.2 mm); 50 to 59 years (n=50), 5.77 mm (range: 4.4 to 7.2 mm); 60 to 69 years (n=30), 5.58 mm (range: 3.5 to 7.5 mm); 70 to 79 years (n=6), 5.17 mm (range: 4.6 to 6.0 mm); and 80 years (n=4), 4.85 mm (range: 4.1 to 5.3 mm). These values were consistent with studies using infrared photography. The standard deviation was >0.1 mm in 10 (3.8%) participants, all of whom were younger than 55 years., Conclusions: The dark-adapted pupil diameter is an important clinical variable when planning refractive surgery. Surgeons can compare a patient's dark-adapted pupil diameter with the results of this population study to identify outlier measurements, which may be erroneous, and repeat testing prior to surgery., (Copyright 2011, SLACK Incorporated.)

Purpose: To report a technique using cautery fixation of the amniotic membrane transplant in pterygium excision., Methods: The amniotic membrane transplant is oversized 3-4 mm in both dimensions (1.5-2 mm on each side). The transplant is placed in position, and the excess is tucked subconjunctivally 270 degrees. Limbal fixation sutures using 9-0 Vicryl in a buried fashion are placed, and then, amniotic membrane transplant (AMT) overlying the cornea is excised. Cautery fixation of the AMT in a grid pattern using the eraser tip is performed. The cautery power is started low and titrated up until the appropriate reaction of the graft is noted upon application. Forceps are used for countertraction to prevent the eraser tip from lifting the AMT graft after fixating it to the underlying episclera., Results: This technique was used on 17 consecutive patients with pterygia (12 primary and 5 recurrent). Average surgical time was 22.65 ± 2.57 minutes. No AMT malposition, dislocation, or loss and no granuloma formation were experienced. Although follow-up up to this point is short (average: 7.12 months, range: 2-18 months), no recurrences have occurred., Conclusions: This technique provides a quick, inexpensive, and effective method of AMT fixation for use in pterygium surgery.

Purpose: The aims of this study were to assess the utility of digital color sensing to quantify iris color using digital photographs and to determine whether gender or iris color affects the dark-adapted pupil diameter (DAPD)., Methods: Subjects aged 18-80 years (N = 263) with no eye disease had their right DAPD measured after 2 min of dark adaptation at 1 lux using the NeurOptics pupillometer. A high-resolution digital slit lamp photograph of the iris was taken, and iris color was subjectively classified as blue, blue-green, green-brown, light brown, or dark brown. The digital photographs were objectively measured on-screen with the Minolta TV Color Analyzer II using the Commission Internationale de l'Eclairage system of color description. Regression analyses were performed to identify correlations between subjective iris color, Commission Internationale de l'Eclairage measurements, and DAPD., Results: Gender and iris color had no effect on the DAPD. The Minolta TV Color Analyzer could discriminate all blue eyes (blue and blue-green) from all brown eyes (light and dark) but could not distinguish between shades of blue or shades of brown. Green-brown irises had no unique chromatic properties and could not be distinguished from other colors using our technique of digital color analysis. The Minolta device was simple and efficient to use., Conclusions: Contrary to long-held beliefs, female patients and blue-eyed patients do not have larger DAPD. Digital color sensing is a useful technique for objectively describing iris color.

Pterygium is an ocular surface disease of humans attributed to chronic ultraviolet-B exposure. Clinically, the condition involves invasive centripetal growth with associated inflammation and neovascularisation. Previous clinical studies focused primarily on the clinical characteristics and surgical management of pterygia and, because of this, the pathogenesis of pterygia remains incompletely understood. However, considerable progress in this area has been achieved, providing additional insight into this complex disease. This recent evidence implicates antiapoptotic mechanisms, immunological mechanisms, cytokines, growth factors, extracellular matrix modulators, genetic factors, viral infections and other possible causative factors. Limited investigation regarding differences in pathogenesis of primary and recurrent pterygia has been performed. We summarise many of these recent discoveries concerning the pathogenesis of pterygia and describe reported differences between primary and recurrent pterygia.

Purpose: To describe the characteristic, clinical, and epidemiological features of Salzmann nodular degeneration., Methods: Retrospective review of cases. All patients with diagnosis of Salzmann nodular degeneration examined on the Cornea and External Disease Service in the Department of Ophthalmology and Vision Science at the University of California, Davis, were included in this review. Demographic features, clinical characteristics, treatment regimens, surgical procedures, and outcomes were recorded. Descriptive statistics, correlation statistics in bilateral cases, and simple regression models were constructed to assess the effect of potential indicators of severity., Results: One hundred eighty eyes of 108 patients were included in this review. Seventy-nine patients (72.2%) were female and 29 (27.8%) were male. Seventy-two patients had bilateral disease. The mean age for all patients was 60.8 (13-92) years, and the mean follow-up time was 61.2 months (0-357 months). 76.1% of all eyes were from White. Mean logarithm of the minimum angle of resolution best-corrected visual acuity was 0.24 (Snellen equivalent 20/35, range -0.12 to 2.60, SD 0.44). Decreased visual acuity was the most common symptom in 30.6% of patients. The visual axis was affected in 30% of the cases. Meibomian gland dysfunction was the most common coexistent condition, identified in 41.7% of the cases. For bilateral cases, Spearman correlations for best-corrected visual acuity, magnitude of astigmatism, spherical equivalent, and disease extension were statistically significant (P = 0.001). The number of quadrants affected was found to be a significant predictor for astigmatism (P = 0.01). Surgery was indicated in 41 eyes of 30 patients. Decreased visual acuity was the most common indication for superficial keratectomy. Patients with more than 1 quadrant of the cornea affected or those in which the central visual axis was involved were more likely to require surgery (P = 0.015 and 0.0001, respectively). The surgical outcome was satisfactory in 90.2% of the cases; 9 eyes (21.9%) developed recurrences., Conclusions: Salzmann nodular degeneration is a disease of uncertain etiology in which inflammation of the ocular surface may play a role. It predominantly affects women in the sixth decade of life. Management with conservative therapy is generally adequate, and in cases that require surgical intervention, simple nodulectomy is usually effective.

Purpose: To compare the accuracy of a handheld infrared digital pupillometer and digital infrared photography for measurement of the dark-adapted pupil diameter., Setting: Department of Ophthalmology and Visual Sciences, Texas Tech University Health Sciences Center, Lubbock, Texas, USA., Methods: The right horizontal pupil diameter in healthy volunteers was measured using a NeurOptics PLR-200 pupillometer and then videographed using the infrared function of a CyberShot video camera after 2 minutes and 5 minutes dark adaptation at 1 lux ambient illumination. The best still image was extracted from the video file, and the horizontal pupil diameter was determined by comparison against an internal photographic length standard using digital image software. Accommodation and alertness were controlled during testing., Results: The mean horizontal pupil diameter by infrared photography after 2 minutes of dark adaptation by subject age was 7.71 mm for ages 20 to 29 years, 6.80 mm for ages 30 to 39 years, 6.53 mm for ages 40 to 49 years, 5.94 mm for ages 50 to 59 years, and 6.01 mm for ages 60 to 69 years. The mean difference (infrared photography minus pupillometer) was +0.09 mm (range +0.30 to -0.14 mm) at 2 minutes of adaptation and +0.07 mm (range +0.25 to -0.13 mm) at 5 minutes., Conclusions: The pupillometer accurately measured the horizontal pupil diameter at 1 lux, with no measurement more than 0.3 mm different from infrared photography measurements. The pupillometer had a slight negative bias that is unlikely to introduce an error greater than 0.5 mm in clinical measurements., (Copyright 2010 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.)

This review will focus on the current level on chemistry research, education, and visualization possible within the multi-user virtual environment of Second Life. We discuss how Second Life has been used as a platform for the interactive and collaborative visualization of data from molecules and proteins to spectra and experimental data. We then review how these visualizations can be scripted for immersive educational activities and real-life collaborative research. We also discuss the benefits of the social networking affordances of Second Life for both chemists and chemistry students.

Recent conceptual and methodological advances in behavioral safety research afford an opportunity to integrate past and recent research findings. Building on theoretical models of worker performance and work climate, this study quantitatively integrates the safety literature by meta-analytically examining person- and situation-based antecedents of safety performance behaviors and safety outcomes (i.e., accidents and injuries). As anticipated, safety knowledge and safety motivation were most strongly related to safety performance behaviors, closely followed by psychological safety climate and group safety climate. With regard to accidents and injuries, however, group safety climate had the strongest association. In addition, tests of a meta-analytic path model provided support for the theoretical model that guided this overall investigation. The implications of these findings for advancing the study and management of workplace safety are discussed.

We report on the implementation of the Spectral Game, a web-based game where players try to match molecules to various forms of interactive spectra including 1D/2D NMR, Mass Spectrometry and Infrared spectra. Each correct selection earns the player one point and play continues until the player supplies an incorrect answer. The game is usually played using a web browser interface, although a version has been developed in the virtual 3D environment of Second Life. Spectra uploaded as Open Data to ChemSpider in JCAMP-DX format are used for the problem sets together with structures extracted from the website. The spectra are displayed using JSpecView, an Open Source spectrum viewing applet which affords zooming and integration. The application of the game to the teaching of proton NMR spectroscopy in an undergraduate organic chemistry class and a 2D Spectrum Viewer are also presented.

Purpose: To describe characteristic histopathologic markers in deep anterior lamellar keratoplasty (DALK) using pneumatic dissection: Anwar "big-bubble" technique., Methods: Case reports. Deep stromal buttons from 2 patients with keratoconus who had undergone DALK surgery using the "big-bubble" technique were examined by light microscopy., Results: The histopathology of excised corneal buttons demonstrated multiple intrastromal spaces consistent with air bubbles. Apical stromal thinning seen clinically was not as readily appreciated on histopathology., Conclusions: Pneumatic dissection in DALK produces diffuse intrastromal air bubbles that may mask the corneal thinning that usually characterizes keratoconus histopathologically. This is a characteristic finding of which ocular pathologists and corneal surgeons should be aware.

Purpose: To describe the histopathologic characteristics of a 51-year-old Castroviejo square graft that remained functional for more than 50 years and to describe the wound-healing characteristics over this period of time., Methods: An 80-year-old woman with a history of keratoconus underwent penetrating keratoplasty with square grafts in 1956 and 1957 in the right and left eyes, respectively. The graft from the right eye was replaced in 2007, and the corneal specimen was submitted for histopathologic analysis., Results: Light microscopy demonstrated a smooth transition between host and donor stroma. Descemet's membrane was markedly thickened (>40 m) and laminated, and a very thin retrocorneal membrane was visible at high magnification., Conclusions: This case provides an opportunity to observe the histopathology of corneal wound healing over a period of more than half a century.

Purpose: To compare the University of California Davis experience using the Boston keratoprosthesis with the Boston Keratoprosthesis Study Group's initial report., Design: Retrospective chart review., Participants: We analyzed 30 eyes of 28 patients who previously underwent Boston type 1 keratoprosthesis surgery at our institution between 2004 and 2008., Methods: Preoperative, intraoperative, and postoperative parameters were collected and analyzed., Main Outcome Measures: Visual acuity and keratoprosthesis stability., Results: Preoperative diagnoses were failed graft (26 eyes, 87%), chemical injury (3 eyes, 10%), and Stevens-Johnson syndrome (1 eye, 3%). Twenty eyes (66%) had preoperative glaucoma. Preoperative best-corrected visual acuity ranged from 20/150 to light perception and was <20/200 in 83% of eyes. At an average follow-up of 19 months (range, 1-48; SD, 13.8; and median, 13), postoperative vision improved to >or=20/200 in 77% of eyes. Among eyes at least 1 year after the operation (16 eyes), vision was >or=20/200 in 75% of eyes and >or=20/40 in 25% of eyes. At an average follow-up of 19 months, retention of the initial keratoprosthesis was 83.3%., Conclusions: The Boston type 1 keratoprosthesis is a viable option after multiple keratoplasty failures or in conditions with a poor prognosis for primary keratoplasty. Patients with autoimmune disease are at higher risk for complications. The University of California Davis experience seems equivalent to the initial report of the Boston Keratoprosthesis Study Group. With longer follow-up, additional surgical procedures may be required but good anatomic and functional outcomes can be maintained.

Purposes: To develop a step-by-step production method for human autologous serum (AS) eye drops that was broadly compliant with US Food and Drug Administration requirements for reinjection of processed biological substances. To determine optimum storage conditions for AS eye drops by measuring the concentration of growth factor peptides (GFP) as a function of storage temperature and storage duration., Methods: AS derived from the blood of 3 healthy male volunteers was produced using a closed, vacuum-driven, cascade-filtration system under sterile, low-pyrogen conditions. In-process controls included methods for monitoring protein electrophoretic mobility and degradation rate and the content of free hemoglobin and endotoxin. Stability of transforming growth factor beta1, substance P, nerve growth factor, calcitonin gene-related peptide, insulin-like growth factor 1, and epidermal growth factor was evaluated at -15 degrees C, +4 degrees C, +25 degrees C, +37 degrees C, and +42 degrees C at different time intervals (hours to weeks). The main outcome measures were the concentrations of GFP, endotoxin, and lipid peroxidation by-products (a proxy measure for protein degradation) in dilute AS., Results: The stability of GFP varies: transforming growth factor beta1, nerve growth factor, epidermal growth factor, and insulin-like growth factor 1 were more temperature and time resistant, but substance P and calcitonin gene-related peptide significantly degraded at +4 degrees C in 24 hours. Endotoxin and lipid peroxidation by-products were not significantly increased by processing., Conclusions: This pilot study developed a closed, cascade-filtration system that was an effective method for the production of high-quality, low-pyrogen AS. The processing method broadly complied with Food and Drug Administration requirements for reinjection of biological substances. Variable GFP stability was observed at +4 degrees C and above. For clinical use, AS should be packaged in daily-use containers, which should be stored frozen; the container in active use should be refrigerated between doses.

Although interest regarding the role of dispositional affect in job behaviors has surged in recent years, the true magnitude of affectivity's influence remains unknown. To address this issue, the authors conducted a qualitative and quantitative review of the relationships between positive and negative affectivity (PA and NA, respectively) and various performance dimensions. A series of meta-analyses based on 57 primary studies indicated that PA and NA predicted task performance in the hypothesized directions and that the relationships were strongest for subjectively rated versus objectively rated performance. In addition, PA was related to organizational citizenship behaviors but not withdrawal behaviors, and NA was related to organizational citizenship behaviors, withdrawal behaviors, counterproductive work behaviors, and occupational injury. Mediational analyses revealed that affect operated through different mechanisms in influencing the various performance dimensions. Regression analyses documented that PA and NA uniquely predicted task performance but that extraversion and neuroticism did not, when the four were considered simultaneously. Discussion focuses on the theoretical and practical implications of these findings. (PsycINFO Database Record (c) 2009 APA, all rights reserved).

The optimization of a Ugi reaction involving the mixing of furfurylamine, benzaldehyde, boc-glycine and t-butylisocyanide is described. Triplicate runs of 48 parallel experiments are reported, varying concentration, solvent and the excess of some of the reagents. The isolation of the product was achieved by a simple filtration and wash procedure. The highest yield obtained was 66% from 0.4 M methanol with 1.2 eq. of imine. This is significantly above the 49% yield obtained from the initial reaction under equimolar concentration at 0.4 M in methanol. Methanol solutions with reagent concentrations of 0.4M or 0.2M gave superior yields while all solvent systems at 0.07M performed poorly. At 0.2M, methanol and ethanol/methanol (60/40) mixtures were statistically equally good while THF/methanol (60/40) was poor and acetonitrile/methanol (60/40) was intermediate. Good reproducibility of the precipitate yields was obtained in these replicate experiments, allowing for subtle interaction effects to be positively identified.

Background: To perform a comprehensive serum growth factor analysis in dry eye syndrome patients and to compare this with matched controls., Methods: Six female dry eye syndrome patients and six age- and gender-matched controls were recruited. Whole blood was collected, allowed to clot and then centrifuged. Serum was extracted by using sterile technique. Enzyme-linked immunosorbent assays were performed to quantify serum growth factor levels., Results: Levels of transforming growth factor-beta 1 and 2 (TGF-beta1 and beta2), nerve growth factor (NGF), insulin-like growth factor-1 (IGF-1), epidermal growth factor (EGF), acidic and basic fibroblast growth factor (FGF), keratinocyte growth factor (KGF), hepatocyte growth factor (HGF), vascular endothelial growth factor (VEGF), platelet-derived growth factor-AA, AB and BB (PDGF-AA, AB and BB), brain-derived neurotrophic factor (BDNF), neurotrophin-3 (NT-3) and glial cell line-derived neurotrophic factor (GDNF) were quantified, and statistical analysis was performed by using the Mann-Whitney U-test with the Bonferroni correction., Conclusions: No significant difference was found between serum growth factor levels in dry eye syndrome patients versus controls. Our study provides comprehensive analysis of serum growth factor levels in autologous serum eye drops produced from ocular surface disease patients. A knowledge of growth factor levels in serum may be important because of the increasing use of autologous serum eye drops in refractory ocular surface diseases and for an understanding of how topical serum may provide benefit.

Descemet's stripping automated endothelial keratoplasty avoids a full-thickness corneal procedure and provides rapid visual rehabilitation. Success depends on positioning the graft successfully while minimizing intraoperative donor endothelial trauma. Previously described techniques for graft insertion may be problematic in patients with intraoperative floppy-iris syndrome, anatomically shallow or unstable anterior chambers, or increased intraoperative posterior vitreous pressure. We describe an alternative called the suture-drag technique that may facilitate lamellar endothelial graft insertion in these special circumstances.

Objective: This article discusses issues regarding the usage of psychotropic medications during military deployments, with emphasis on Operation Iraqi Freedom., Method: The role of psychotropic medications in the Army combat stress control doctrine is reviewed and compared with operational experiences of psychiatrists who have deployed to Iraq, Bosnia, and Egypt., Results: Many issues regarding psychotropic medications experienced by deployed psychiatrists are not discussed in the Army combat stress control doctrine., Conclusion: The advent of new psychotropic medications, the changes in the types of conflicts fought, and the role of National Guard and Reserve forces in current conflicts have all had an impact on the role and usage of psychotropic medications during military deployments.

Purpose: To analyze the course of intraocular pressure (IOP) during lamellar microkeratotomy (LMK) in enucleated human eyes using 3 microkeratome systems., Setting: Department of Ophthalmology, Texas Tech University Health Sciences Center, Lubbock, Texas, U.S.A., Methods: Sixteen enucleated human globes were cannulated through the optic nerve, and IOP was recorded continuously while the eyes had standard LMK flap creation. Three microkeratomes were used: Carriazo-Barraquer (Moria Inc.), Innovatome (Innovative Optics Inc.), and Hansatome (Bausch & Lomb)., Results: During the vacuum affixation phase, the IOP reached a mean plateau of 97.9 mm Hg with the Hansatome, 135.8 mm Hg with the Innovatome, and 150.0 mm Hg with the Carriazo-Barraquer. During applanation and cutting, the IOP rose to mean plateau of 154.7 mm Hg, 151.8 mm Hg, and 175.8 mm Hg, respectively. Statistical analysis using Kruskal-Wallis testing suggested a difference in mean IOP elevation between the 3 microkeratomes during the vacuum affixation phase (P = .0394) but no difference during the applanation and cutting phase (P = .506)., Conclusion: The IOP during LMK was higher than previously reported, and this may increase the risk for complications in certain patient groups.