bluuebunny/crossref_metadata_2025_split huggingface dataset:
Conformational and tautomeric preferences in 3‐aminoacrylaldehyde: A theoretical study
Authors: Nowroozi Alireza , Roohi Hossein , Sheibaninia Mohseneh , Sadeghi Ghoogheri Mohammad Sadegh , Raissi Heidar 
Published: December 2009

AbstractThe conformational study of 3‐aminoacrylaldehyde were performed at various theoretical levels and the equilibrium conformations were determined. Furthermore, to have more reliable energies, the total energies of all forms recomputed at G2MP2 and CBS‐QB3. Theoretical calculations clearly show that the intramolecular hydrogen bond (IHB) is the origin of conformational preference and the resultant IHB order at HF/6‐311++G(d,p), MP2/6‐311++G(d,p), and CBS‐QB3 levels is different from the order which obtained from the B3LYP/6‐311++G(d,p), G2MP2, the geometrical parameters, AIM, and NBO analyses. Furthermore, our theoretical results reveal that the ketoamine (KA) tautomeric group is more stable than the enolimine (EI) and ketoimine (KI) ones. The IHB and tautomeric process could not rationalize the irregular stability of KA group with respect the others. But the population analyses of the possible conformations by NBO predict that the π‐electron delocalization, especially unusual π→ πcharge transfer, is the origin of tautomeric preference. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Exchange and correlation in density functional theory and quantum chemistry
Authors: Peach Michael J. G. , Tozer David J. , Handy Nicholas C. 
Published: December 2009

AbstractThe nature of exchange, dynamic correlation (DC) and left–right correlation (LRC) is considered in density functional theory and wavefunction‐based quantum chemistry. The presence of LRC in approximate exchange density functionals is highlighted and the separation of LRC and DC is considered. For H2, the Heitler–London approach is shown to include the essential elements of exchange and LRC. The arguments are illustrated by a comparison of Gaussian orbital s‐optimised Heitler–London and OPTX potential energy curves. They agree well near equilibrium, but differ at large distances due to the inability of the OPTX form to describe the dissociation process. LRC and DC values determined using the two approaches are compared. The influence of higher angular momentum functions in the Heitler–London approach is then investigated (commonly called self‐consistent valence bond); the agreement with OPTX degrades, leading to a larger value of LRC and a smaller value of DC at H2 equilibrium. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Calculation of the electrostatic charges and energies for intercalation of aromatic drug molecules with DNA
Authors: Kostjukov V. V. , Khomytova N. M. , Hernandez Santiago A. A. , Licona Ibarra R. , Davies D. B. , Evstigneev M. P. 
Published: December 2009

AbstractIn this work, we analyzed the influence of the charge model on the magnitudes of atomic charges and electrostatic energies for the binding of aromatic drug molecules with DNA. The dependence of the charge and energy on the level of theory (HF, DFT (B3LYP), MP2, semi‐empirical methods), basis set (STO‐3G, 3‐21G, 6‐31G, 6‐31G*, 6‐31G**), method of charge computation (Mulliken, Natural Population Analysis, CHelpG, Merz–Kollman), and force field charge (CHARMM27, AMBER99) has been tracked for typical aromatic drugs of different structure and charge state. Recommendations and restrictions have been formulated for the use of particular approaches in charge/electrostatic energy calculations. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
A new biometric identity based encryption scheme secure against DoS attacks
Authors: Sarier Neyire Deniz 
Published: December 2009

AbstractRecently, Sarier 1 proposed an efficient biometric Identity Based Encryption (IBE) scheme called BIO‐IBE using the Sakai Kasahara Key Construction and proved its security in the Random Oracle Model (ROM) based on the well‐exploited k‐BDHI computational problem. Despite its efficiency compared to other fuzzy IBE systems implemented for biometric identities, BIO‐IBE is not secure against a new type of denial of service (DoS) attack that we present. In this context, we describe a new biometric IBE scheme and show that our scheme is immune against this attack due to the signature applied on the public value PAR of the user. This way, the sender can detect whether PAR of the receiver that is stored publicly is modified by an active adversary, thus the generation of a ciphertext based on a wrong identity is avoided. The main difference of the new scheme is the structure of the key generation algorithm, where a unique biometric identity string ID obtained from the biometric attributes is used instead of picking a different polynomial for each user as in other fuzzy IBE schemes. In addition to the well‐defined security model for current fuzzy IBE schemes, we describe a stronger security model and prove the security of our scheme in this framework achieving a better reduction cost compared to BIO‐IBE. Finally, our scheme provides security against DoS attacks and better efficiency in terms of the key generation and decryption algorithms compared to the existing fuzzy IBE schemes. Copyright © 2009 John Wiley & Sons, Ltd.
Management of women referred to an acute gynecology unit: impact of an ultrasound‐based model of care
Authors: Bignardi T. , Burnet S. , Alhamdan D. , Lu C. , Pardey J. , Benzie R. , Condous G. 
Published: December 2009

AbstractObjectiveTo assess the impact of the introduction of an ultrasound‐based model of care for women with acute gynecological complications.MethodsThis was a prospective comparative study of women attending an ultrasound‐based acute gynecology unit (AGU) at the Nepean Hospital during a 6‐week period 4 months after the unit's inception (new model of care), and a group of women presenting at the hospital during a similar period 6 months immediately prior to the unit's inception (traditional model). In the new model of care, ultrasound was performed at the time of the initial assessment by a senior clinician. The main outcome measures were admission rates and occupied bed days.ResultsThe study included 290 consecutive women with complete data, 133 before and 157 after the introduction of the AGU. Compared with the group presenting before establishment of the AGU, the group who attended the AGU had significantly lower admission rate (7% vs. 36%, P < 0.0001) and significantly shorter time to see a trainee gynecologist (mean, 172 vs. 205 min, P = 0.00089), time to ultrasound examination (mean, 199 vs. 533 min, P < 0.0001), length of stay as an outpatient (mean, 45 vs. 248 min, P < 0.0001), fewer occupied bed days (total, 30 vs. 85 days, P < 0.0001) and lower surgical intervention rates (12% vs. 29%, P = 0.00025). They also had significantly higher expectant management rate (26 vs. 8%, P = 0.00023). The extrapolated annual reduction in occupied bed days represented a total financial saving of $ 257 617 Australian dollars.ConclusionsIn the AGU, the availability of ultrasound carried out by a senior clinician with an interest in gynecological emergencies may lead to a reduction in admissions and improved outcomes. Copyright © 2009 ISUOG. Published by John Wiley & Sons, Ltd.
Effects of cross section design and testing conditions on the flexural properties of wood/PVC composite beams
Authors: Sombatsompop N. , Prapruit W. , Chaochanchaikul K. , Pulngern T. , Rosarpitak V. 
Published: December 2009

AbstractHighly filled wood/poly(vinyl chloride) (WPVC) composites were manufactured in five different cross sections by using an industrial‐scale twin‐screw extruder. The flexural properties of such composites were evaluated, with the effects of sample direction, span length, and rate of loading also being taken into account. The experimental results suggested that the cross section design of WPVC composite products had a significant effect on the flexural properties. Better flexural properties were obtained when testing the WPVC composites in an edgewise loading direction. The findings of this work suggested that a low number of hollow cores with thick flanges and webs should be used to obtain a composite with better flexural properties. The WPVC composite with low density was observed to exhibit lower flexural strength, and the rate of loading had a marginal effect on the flexural properties of the composites. The minimum L/d ratios of the WPVC beam to be used for steady flexural properties were 10 in the edgewise direction and 16 in the flatwise direction. J. VINYL ADDIT. TECHNOL, 2010. © 2009 Society of Plastics Engineers
Comparison of Consumer Information on the Internet to the Current Evidence Base for Minimally Invasive Parathyroidectomy
Authors: McLean Timothy , Delbridge Leigh 
Published: December 2009

AbstractBackgroundThe Internet is increasingly used as a source of health information by patients. Under these circumstances, the opportunity exists for Internet sites ostensibly providing patient information to act to promote surgical referrals based on exaggerated claims. This study aims to assess quantitatively and qualitatively the Internet‐based consumer health information for minimally invasive parathyroidectomy (MIP) techniques.MethodsThis is a prospective analysis of Internet web sites. Descriptive information about specific published claims on each of the web sites was documented and compared to the published evidence base. Web sites were then rated using a validated composite score (CS) tool and an MIP score tool developed specifically for the study.ResultsThe search yielded 308 web sites, which, after assessment by the inclusion criteria left 44 unique web sites suitable for analysis. “Exaggerated,” “misleading,” or “false” claims were present in 27.3% of the web sites analyzed. The false claims category had a high negative item‐total correlation with the overall score, and accuracy was found to have a statistically significant (p < 0.05) negative correlation with quality. However, analysis performed for country of origin and the organization responsible for the web site found no significant difference.ConclusionsWeb sites offering information in relation to MIP have a surprisingly high rate of claims that are not in accord with the evidence. Such claims may be posted to attract surgical referrals. It is difficult for consumers to differentiate quality consumer health web sites from poor ones as there are no hard and fast rules to differentiate them.
Risk Factors for Malignancy in Benign Papillomas of the Breast on Core Needle Biopsy
Authors: Jung So‐Youn , Kang Han‐Sung , Kwon Youngmee , Min Sun Young , Kim Eun‐A , Ko Kyoung Lan , Lee Seeyoun , Kim Seok Won 
Published: December 2009

AbstractBackgroundThis study was designed to evaluate the clinical and pathologic parameters of benign papillomas diagnosed on core needle biopsy (CNB) and predict malignancy risk after surgical excision.MethodsWe retrospectively reviewed clinicopathologic findings for 160 CNB‐diagnosed benign papillomas followed by surgical excision from 154 patients.ResultsTen (6.3%) of the excised lesions were diagnosed as malignant. Univariate analysis showed that those that were palpable on physical examination, detected as a mass on mammography, or >1 cm on sonography were significantly associated with malignancy. In multivariate analysis, lesions that were palpable (odds ratio (OR), 29.2; 95% confidence interval (CI), 4.06–209.58; P = 0.001) or detected as a mass (OR, 5.68; 95% CI 1.08–29.87; P = 0.04) remained significantly associated with malignancy. In a CART analysis, including all variables, lesions that were palpable and associated with a mass on mammogram were confirmed as malignant.ConclusionsBreast lesions diagnosed as benign papillomas on CNB had a 6.3% risk of being malignant. The risk was highest for lesions that were palpable and detectable as a mass on a mammogram. In addition, the low‐risk patients avoid immediate surgical excision, although they should be followed carefully.
Laparoscopic Liver Resection for Hepatocellular Carcinoma in the Left Liver: Pringle Maneuver Versus Tourniquet Method
Authors: Zhen Zuo Jun , Lau Wan Yee , Wang Feng Jie , Lai Eric C. H. 
Published: December 2009

AbstractBackgroundA good postoperative outcome after partial hepatectomy is highly dependent on limiting operative blood loss. This study evaluated the feasibility and efficacy of the tourniquet method compared with the Pringle maneuver in laparoscopic liver resection for hepatocellular carcinoma (HCC) in the left liver.MethodsA retrospective, nonrandomized, comparative study for laparoscopic liver resection for HCC in the left liver using the Pringle maneuver (group A) or the tourniquet method (group B) was initiated in our center between March 2004 and October 2008.ResultsSixteen patients (group A) underwent laparoscopic liver resection using the Pringle maneuver, and 13 patients (group B) underwent laparoscopic liver resection using the tourniquet method. No differences in operation time, operative blood loss, perioperative blood transfusion, and perioperative morbidity were found between the two groups. Both groups had no postoperative mortality. The liver enzymes were significantly elevated in group A compared with group B. Group B patients also had significantly faster recovery of liver function. The postoperative hospital stay for group B was significantly shorter than group A (mean, 5.6 days vs. 8.3 days).ConclusionsBoth techniques of vascular control were equally safe, efficacious, and feasible for patients undergoing laparoscopic left‐sided liver resection. The tourniquet method gave a wider safety margin for patients with chronic liver disease with a compromised hepatic reserve by causing less ischemia‐reperfusion injury to the remnant liver.
Composition and Antioxidant Activity of Olive Leaf Extracts from Greek Olive Cultivars
Authors: Kiritsakis Kostas , Kontominas M. G. , Kontogiorgis C. , Hadjipavlou‐Litina D. , Moustakas A. , Kiritsakis A. 
Published: December 2009

AbstractThe olive leaf phenolic composition of the Greek cultivars koroneiki, megaritiki and kalamon was determined using LC/MS. Furthermore, the antioxidant activity of olive leaf extracts from the above three cultivars, using solvents of increasing polarity (petroleum ether, dichloromethane, methanol and methanol/water: 60/40) was evaluated using the stable free radical diphenylpicrylhydrazyl (DPPH) test. Furthermore the oxidative stability index (OSI) was compared to that of the synthetic antioxidant TBHQ and commercial oleoresin (rosemary extract). The ability of phenolic compounds to inhibit the lipoxygenase (LOX) activity was also investigated. The ten main components determined in the olive tree leaf extracts for the cultivars koroneiki and kalamon were: secologanoside, dimethyloleuropein, oleuropein diglucoside, luteolin‐7‐O‐glucoside, rutin, oleuropein, oleuroside, quercetin, ligstroside and verbascoside. Respective compounds for the cultivar megaritiki were: secologanoside, dimethyloleuropein, oleuropein diglucoside, luteolin7‐O‐glucoside, oleuropein, oleuroside, quercetin and ligstroside. In all three cultivars, oleuropein represented the main phenolic component. The solvent polarity influenced the total amount of the phenolic compounds determined. When methanol/water (60/40) was used, as solvent, more phenolic compounds were determined. The total amounts of phenols determined in the extracts, obtained by successive extractions using the above solvents, were 6,094, 5,579 and 6,196 mg/kg (mg gallic acid/kg dried olive leaves) for the cultivars megaritiki, kalamon and koroneiki, respectively. Among all extracts, methanol/water extracts exhibited the highest antioxidant activity as shown through the application of the DPPH and OSI methods. The OSI antioxidant activity followed the sequence: synthetic antioxidant TBHQ > commercial oleoresin > olive tree leaf extracts > control. Likewise, methanol/water olive leaf extracts significantly inhibited soybean lipoxygenase, although some small differences in the activity among the olive leaf extracts of the different cultivars were observed. The solvent polarity as well as the amount of the extract influenced the inhibitory activity. A positive correlation was shown between the antioxidant activity of leaf extracts and the total phenol content.
Evaluation of the Oxidative Stability of Diacylglycerol‐Enriched Soybean Oil and Palm Olein Under Rancimat‐Accelerated Oxidation Conditions
Authors: Wang Yong , Zhao Mouming , Tang Shuze , Song Keke , Han Xue , Ou Shiyi 
Published: December 2009

AbstractThe oxidative stability of diacylglycerol (DAG)‐enriched soybean oil and palm olein produced by partial hydrolysis using phospholipase A1 (Lecitase Ultra) and molecular distillation was investigated at 110 °C by the Rancimat method with and without addition of synthetic antioxidants. Compared with triacylglycerol oils, the DAG‐enriched oils displayed lower oxidative stability due to a higher content of unsaturated fatty acids and a lower level of tocopherols. With the addition (50–200 mg/kg) of tert‐butylhydroquinone (TBHQ) or ascorbyl palmitate (AP), the oxidative stability indicated by induction period (IP) of these DAG‐enriched oils under the Rancimat conditions was improved. The IP of the diacylglycerol‐enriched soybean oil increased from 4.21 ± 0.09 to 12.64 ± 0.42 h when 200 mg/kg of TBHQ was added, whereas the IP of the diacylglycerol‐enriched palm olein increased from 5.35 ± 0.21 to 16.24 ± 0.55 h when the same level of AP was added. Addition of TBHQ, alone and in combination with AP resulted in a significant (p ≤ 0.05) increase in oxidative stability of diacylglycerol‐enriched soybean oil. AP had a positive synergistic effect when used with TBHQ.
Subarachnoid transplantation of immortalized galanin‐overexpressing astrocytes attenuates chronic neuropathic pain
Authors: An Ke , Xu Ying , Yang Hui , Shu Hai‐hua , Xiang Hong‐bing , Tian Yu‐ke 
Published: December 2009

AbstractTreatment of chronic neuropathic pain resulted from peripheral nerve injury is one of the most difficult problems in modern clinical practice. The use of cell lines as biologic “minipumps” to chronically deliver anti‐nociceptive molecules into the pain‐processing centers of spinal cord is a newly developing technique for the treatment of pain. Moreover, spinal administration of exogenous galanin (GAL) is a useful target for the treatment of chronic pain after nerve injury. Because of better histocompatibility, lower immunogenicity and reproducibility, immortalized astrocytes (IAST) have been served as a promising cellular vehicle to deliver therapeutic molecules into CNS. In this study, the rat IAST was transfected with rat preprogalanin cDNA and the galanin‐synthesizing and secreting cell line, IAST/GAL, was isolated. After cells were transplanted into the subarachnoid space of rats with chronic neuropathic pain induced by spared nerve injury (SNI) of sciatic nerve, their analgesic potential was evaluated by behavioral tests. The results showed that IAST/GAL transfected with preprogalanin gene could express and secrete significantly higher level of GAL protein in vitro and in vivo as compared with control cells. In addition, the pain‐related behaviors, thermal hyperalgesia and mechanical allodynia were significantly alleviated during the 1–7 weeks after grafts of IAST/GAL cells, which could be reversed by galanin receptor antagonist M35 temporarily. Taken together, these data suggest that subarachnoid transplant of immortalized galanin‐overexpressing astrocytes near the pain‐processing centers was able to reverse the development of chronic neuropathic pain, which offers an adjunct approach to currently used therapies for the pain management.
Reproductive biology of a bathyal hermaphrodite fish, Bathypterois mediterraneus (Osteichthyes: Ipnopidae) from the south-eastern Sardinian Sea (central-western Mediterranean)
Authors: Porcu Cristina , Follesa Maria Cristina , Grazioli Eleonora , Deiana Anna Maria , Cau Angelo 
Published: December 2009

The reproductive biology of the bathyal hermaphrodite Bathypterois mediterraneus is described based on 348 specimens caught during experimental trawl surveys carried out between 800 and 1600 m depth off the south-eastern Sardinian Sea (central-western Mediterranean). Based on macroscopic and histological gonad analysis and monthly variation of GSI, the female component of the tripodfish shows a reproductive season from March to May. The male component shows, instead, a longer spawning period probably guaranteeing continuous spermatogenesis at any time of year. The oocyte size–frequency distributions in mature component indicated that the species exhibits a synchronous-group and monocyclic ovary characterized by deposition in a single batch of eggs per year (total spawner). The species has a late size at first maturity (L50) of 119 mm standard length (SL); the smallest mature specimen was 110 mm SL.
The employment transitions of mid-life women: health and care effects
Authors: AUSTEN SIOBHAN , ONG RACHEL 
Published: December 2009

ABSTRACTThis article provides information on the movements into and out of paid work by mid-life women. This is a group whose representation in the paid workforce is growing as population ageing proceeds and as educational qualifications expand. It is also a group that will be critical to any labour supply response to the economic challenges posed by population ageing. However, current understandings of the needs and circumstances of mid-life women in paid work are limited. To help address this knowledge gap we use data from the first five waves of the Household, Income and Labour Dynamics in Australia survey (2001–2005) to identify the causal influences of health, care and other factors on the ability of mid-life women to remain in and re-enter paid work. The results show that poor health and/or substantial care roles have a negative impact on the employment chances of this group. However, importantly, there is asymmetry in these health and care effects, in that improvements in health and/or reductions in care roles do not increase the chances of returning to paid work. This finding indicates that many mid-life women who experience poor health and/or undertake large care roles face substantial long-term negative consequences for their employment chances and, thus, their retirement and pre-retirement incomes.