bluuebunny/crossref_metadata_2025 huggingface dataset:
Polymorphism in Xeroderma Pigmentosum Complementation Group C Codon 939 and Aflatoxin B1–Related Hepatocellular Carcinoma in the Guangxi Population
Authors: Long Xi-Dai , Ma Yun , Zhou Yuan-Feng , Ma Ai-Min , Fu Guo-Hui
Published: June 2010

Genetic polymorphisms in DNA repair genes may influence individual variations in DNA repair capacity, and this may be associated with the risk and outcome of hepatocellular carcinoma (HCC) related to aflatoxin B1 (AFB1) exposure. In this study, we focused on the polymorphism of xeroderma pigmentosum complementation group C (XPC) codon 939 (rs#2228001), which is involved in nucleotide excision repair. We conducted a case-control study including 1156 HCC cases and 1402 controls without any evidence of hepatic disease to evaluate the associations between this polymorphism and HCC risk and prognosis in the Guangxi population. AFB1 DNA adduct levels, XPC genotypes, and XPC protein levels were tested with a comparative enzyme-linked immunosorbent assay, TaqMan polymerase chain reaction for XPC genotypes, and immunohistochemistry, respectively. Higher AFB1 exposure was observed among HCC patients versus the control group [odds ratio (OR) = 9.88 for AFB1 exposure years and OR = 6.58 for AFB1 exposure levels]. The XPC codon 939 Gln alleles significantly increased HCC risk [OR = 1.25 (95% confidence interval = 1.03-1.52) for heterozygotes of the XPC codon 939 Lys and Gln alleles (XPC-LG) and OR = 1.81 (95% confidence interval = 1.36-2.40) for homozygotes of the XPC codon 939 Gln alleles (XPC-GG)]. Significant interactive effects between genotypes and AFB1 exposure status were also observed in the joint-effects analysis. This polymorphism, moreover, was correlated with XPC expression levels in cancerous tissues (

r

= −0.369,

P

< 0.001) and with the overall survival of HCC patients (the median survival times were 30, 25, and 19 months for patients with homozygotes of the XPC codon 939 Lys alleles, XPC-LG, and XPC-GG, respectively), especially under high AFB1 exposure conditions. Like AFB1 exposure, the XPC codon 939 polymorphism was an independent prognostic factor influencing the survival of HCC. Additionally, this polymorphism multiplicatively interacted with the xeroderma pigmentosum complementation group D codon 751 polymorphism with respect to HCC risk (ORinteraction = 1.71).

Conclusion:

These results suggest that the XPC codon 939 polymorphism may be associated with the risk and outcome of AFB1-related HCC in the Guangxi population and may interact with AFB1 exposure in the process of HCC induction by AFB1. (Hepatology 2010;)
Is Sexual Contact a Major Mode of Hepatitis C Virus Transmission?
Authors: Tohme Rania A. , Holmberg Scott D.
Published: June 2010

Medical opinion varies considerably regarding the transmission of hepatitis C virus (HCV) through sexual contact. Based on the study design, representativeness of the study population, and the methods used for case ascertainment, we analyzed 80 qualifying reports regarding the evidence for or against sexual transmission. Regarding heterosexual transmission, the weight of evidence is that there is no increased risk of sexual transmission of HCV among heterosexual couples in regular relationships. This risk increases among persons with multiple sexual partners (adjusted odds ratio [aOR] 2.2-2.9), but this association may be confounded by increased likelihood of injection drug use with increased number of partners. There appears to be a real increased risk for women coinfected with human immunodeficiency virus (HIV) or other sexually transmitted infections (aOR 3.3-3.9) and especially for HIV-infected gay men who are having sex with one another compared with HIV-uninfected men (aOR 4.1-5.7). HIV-infected gay men increase their risk of such transmission in association with practices that lead to mucosal trauma (multiple sexual partners, fisting, use of sex toys) and the presence of genital ulcerative disease.

Conclusion:

This review should inform, and not distract from, recommendations to reduce the risk of HCV transmission. Health care providers need to pay special attention to sexual transmission of HCV among HIV-infected individuals. Hepatology 2010
Histologic Outcomes in Hepatitis C–Infected Patients with Varying Degrees of Virologic Response to Interferon-Based Treatments
Authors: Pockros Paul J. , Hamzeh Fayez M. , Martin Paul , Lentz Ellen , Zhou Xiaolei , Govindarajan Sugantha , Lok Anna S.
Published: June 2010

Patients with chronic hepatitis C with partial virologic response or nonresponse to interferon-based therapies can experience treatment-related improvements in liver histology. This retrospective analysis assessed the histologic response to treatment in patients with varying degrees of virologic response (sustained virologic response [SVR], breakthrough, relapse, or nonresponse), time to hepatitis C virus (HCV) RNA undetectability, and duration of viral suppression. Patients (HCV genotypes 1-6) with baseline and follow-up liver biopsies from eight phase 2 to phase 4 interferon-based trials were analyzed. Blinded biopsies were evaluated by a single pathologist. Improvements or worsening of METAVIR necroinflammatory activity and fibrosis were defined as increase or decrease of ≥1 grading category from baseline to 24 weeks after end of treatment. A majority of the 1571 patients with paired biopsy data were white, male, with HCV genotype 1/4, baseline HCV RNA levels >800,000 IU/mL, and baseline alanine aminotransferase levels ≤3 × upper limit of the normal range; mean baseline activity and fibrosis scores were 1.8 and 1.7, respectively. Overall, 80% of patients received peginterferon alfa-2a monotherapy or peginterferon alfa-2a/ribavirin combination therapy. Mean treatment duration was 46 weeks. There was a positive correlation between the degree of virologic response and improvements in METAVIR activity and fibrosis, and an inverse correlation with worsening activity and fibrosis (all comparisons,

P

< 0.0001). Patients with SVR had the greatest histologic benefit. As a combined group, relapsers and patients with breakthrough had significantly greater benefits than nonresponders (activity,

P

= 0.0001; fibrosis,

P

= 0.003). Consistent with these results, a better histologic response was correlated with a shorter time to undetectable HCV RNA and a longer duration of viral suppression (all comparisons,

P

< 0.0001).

Conclusion:

In patients with chronic hepatitis C who were treated with interferon-based therapies, histologic benefits may be observed even in the absence of an SVR. (Hepatology 2010;)
Synthesis of New Phosphonium Ylides Containing Thiophene and Furan Rings and Study of Their Reaction with Mercury(II) Halides: Spectral and Structural Characterization
Authors: Sabounchei Seyyed Javad , Jodaian Vida , Salehzadeh Sadegh , Samiee Sepideh , Dadrass Alireza , Bayat Mehdi , Khavasi Hamid Reza
Published: June 2010

Reactions of phosphonium ylides (4‐MeC6H4)3PCHC(O)(2‐C4H3S) (tptpy), Ph3PCHC(O)(2‐C4H3O) (fppy), and (4‐MeC6H4)3PCHC(O)(4‐BrC6H4) (bbtppy) with HgX2 (X=Cl, Br, and I) in equimolar ratios in MeOH as solvent leads to the binuclear products 1–3 (Scheme 1). The bridge‐splitting reaction of the binuclear complex [{HgI2(bbtppy)}2] (3c) by DMSO yields the mononuclear complex [HgI2⋅(bbtppy) (DMSO)] (3d) (Scheme 2). This bridge‐splitting reaction can also be a method for the synthesis of mononuclear products. C‐Coordination of the ylide and O‐coordination of DMSO are demonstrated by a single‐crystal X‐ray‐analysis of the mononuclear complex 3d. Characterization of the obtained compounds was also performed by means of elemental analysis and IR and 1H‐, 31P‐, and 13C‐NMR spectroscopy. A theoretical study of some HgII complexes with phosphonium ylides is also reported.
Oxygenated 4‐Methylidene Sterols from the South China Sea Sponge Theonella swinhoei
Authors: Zhang Hong‐Jun , Yi Yang‐Hua , Lin Hou‐Wen
Published: June 2010

Two new O‐bearing 4‐methylidene sterols, 9α‐hydroxy‐15‐oxoconicasterol (1) and 8β‐hydroxy‐B‐norconicasta‐6α‐aldehyde (2), were isolated from the EtOH extract of the marine sponge Theonella swinhoei collected from the South China Sea. Their structures were elucidated by spectroscopic data and comparison with known compounds. In addition, spectroscopic data reported for the known 4‐methylidene sterol 7α‐hydroxyconicasterol (3) were revised.
Amyloid‐Like Fibrillogenesis through Supramolecular Helix‐Mediated Self‐Assembly of Tetrapeptides Containing Non‐Coded α‐Aminoisobutyric Acid (Aib) and 3‐Aminobenzoic Acid (m‐ABA)
Authors: Dutta Arpita , Drew Michael G. B. , Pramanik Animesh
Published: June 2010

Single‐crystal X‐ray diffraction studies of two terminally protected tetrapeptides Boc‐Ile‐Aib‐Val‐m‐ABA‐OMe (I) and Boc‐Ile‐Aib‐Phe‐m‐ABA‐OMe (II) (Aib=α‐aminoisobutyric acid; m‐ABA=meta‐aminobenzoic acid) reveal that they form continuous H‐bonded helices through the association of double‐bend (type III and I) building blocks. NMR Studies support the existence of the double‐bend (type III and I) structures of the peptides in solution also. Field emission scanning electron‐microscopic (FE‐SEM) and high‐resolution transmission electron‐microscopic (HR‐TEM) images of the peptides exhibit amyloid‐like fibrils in the solid state. The Congo red‐stained fibrils of peptide I and II, observed between crossed polarizers, show green‐gold birefringence, a characteristic of amyloid fibrils.
Towards Carotenoid Dendrimers: Carotenoid Diesters and Triesters with Aromatic Cores
Authors: Háda Magdolna , Nagy Veronika , Gulyás‐Fekete Gergely , Deli József , Agócs Attila
Published: June 2010

For the evaluation of the synthesis of dendritic esters from carotenoids, various carotenols or their succinates were reacted with bi‐ and trifunctional aromatic acids and alcohols. Several methods were tested, from which the Steglich esterification was found to give the best yields. Apocarotenoids showed higher reactivity in most of the reactions and served as model compounds for C40 carotenoids and their derivatives. The synthesized triesters can be regarded as first generation dendrimers.
New Polyunsaturated Amino Ketones from a Guangxi Sponge Haliclona sp.
Authors: Sun Ji‐Zheng , Yao Li‐Gong , Chen Kao‐Shan , Liu Hai‐Li , Xin Guo‐Rong , Guo Yue‐Wei
Published: June 2010

Two new uncommon polyunsaturated amino ketones, (6Z,9Z,12Z,15Z)‐1‐[(2‐phenylethyl)amino]octadeca‐6,9,12,15‐tetraen‐3‐one (1) and (6Z,9Z,12Z,15Z)‐1‐(diethylamino)octadeca‐6,9,12,15‐tetraen‐3‐one (2), were isolated from the Gangxi sponge Haliclona sp. The structures of new compounds 1 and 2 were determined by detailed analysis of their 1D‐ and 2D‐NMR spectra, and high‐resolution mass spectrometry.
Revisiting the Hinsberg Reaction: Facile and Expeditious Synthesis of 3‐Substituted Quinoxalin‐2(1H)‐ones under Catalyst‐Free Conditions in Water
Authors: Murthy Sabbavarapu Narayana , Madhav Bandaru , Nageswar Yadavalli Venkata Durga
Published: June 2010

Substituted benzene‐1,2‐diamine reacted with various α‐keto esters at 50° under mild conditions for 15 min using H2O as reaction medium, providing a variety of 3‐substituted quinoxalinone derivatives in excellent yields. The reaction was instantaneous, and products were isolated by simple filtration.
Daphnane‐Type Diterpenoids from the Flower Buds of Daphne genkwa
Authors: Li Ling‐Zhi , Gao Pin‐Yi , Peng Ying , Wang Li‐Hui , Yang Jing‐Yu , Wu Chun‐Fu , Zhang Yan , Song Shao‐Jiang
Published: June 2010

Three new daphnane‐type diterpenoids, genkwanines M–O (1–3, resp.), together with seven known daphnane‐type diterpenoids, genkwanines D and H, genkwaine F, genkwadaphnine, yuanhuatine, yuanhuafine, and yuanhuapine (4–10, resp.), were isolated from the flower buds of Daphne genkwa during a phytochemical investigation. The structures of the new compounds were elucidated on the basis of spectroscopic analyses, especially 2D‐NMR spectra (HSQC, HMBC, and NOESY).
A Facile and Efficient Synthesis of Arylsulfonamido‐Substituted 1,5‐Benzodiazepines and N‐[2‐(3‐Benzoylthioureido)aryl]‐3‐oxobutanamide Derivatives
Authors: Alizadeh Abdolali , Zohreh Nasrin
Published: June 2010

A facile and efficient synthesis of 1,5‐benzodiazepines with an arylsulfonamido substituent at C(3) is described. 1,5‐Benzodiazepine, derived from the condensation of benzene‐1,2‐diamine and diketene, reacts with an arylsulfonyl isocyanate via an enamine intermediate to produce the title compounds of potential synthetic and pharmacological interest in good yields (Scheme 1). In addition, reaction of benzene‐1,2‐diamine and diketene in the presence of benzoyl isothiocyanate leads to N‐[2‐(3‐benzoylthioureido)aryl]‐3‐oxobutanamide derivatives (Scheme 2). This reaction proceeds via an imine intermediate and ring opening of diazepine. The structures were corroborated spectroscopically (IR, 1H‐ and 13C‐NMR, and EI‐MS) and by elemental analyses. A plausible mechanism for this type of cyclization is proposed (Scheme 3).
Kinetic Study of Peroxidase‐Catalyzed Coupling of Benzene‐1,4‐diamine and N‐(2‐Aminoethyl)naphthalen‐1‐amine: Development of Micromolar Hydrogen Peroxide Reaction System
Authors: Shivakumar Anantharaman , Nagaraja Padmarajaiah , Aradhana Narayanan , Gowda Avinash K.
Published: June 2010

A novel chromogenic method to measure the peroxidase activity using para‐phenylenediamine dihydrochloride (=benzene‐1,4‐diamine hydrochloride; PPDD) and N‐(1‐naphthyl)ethylenediamine dihydrochloride (=N‐(2‐aminoethyl)naphthalen‐1‐amine; NEDA) is presented. The PPDD entraps the free radical and gets oxidized to electrophilic diimine, which couples with NEDA to give an intense red‐colored chromogenic species with maximum absorbance at 490 nm. This assay was adopted for the quantification of H2O2 between 20 and 160 μM. Catalytic efficiency and catalytic power of the commercial peroxidase were found to be 4.47×104 M−1 min−1 and 3.38×10−4 min−1, respectively. The catalytic constant (kcat) and specificity constant (kcat/Km) at saturated concentration of the co‐substrates were 0.0245×103 min−1 and 0.0445 μM−1 min−1, respectively. The chromogenic coupling reaction has a minimum interference from the reducing substances such as ascorbic acid, L‐cystein, citric acid, and oxalic acid. The method being simple, rapid, precise, and sensitive, its applicability has been tested in the crude vegetable extracts that showed peroxidase activity.
Oxidative Degradation of 2,4‐Dihydroxybenzoic Acid by the Fenton and Photo‐Fenton Processes: Kinetics, Mechanisms, and Evidence for the Substitution of H2O2 by O2
Authors: Haddou Ménana , Benoit‐Marquié Florence , Maurette Marie‐Thérèse , Oliveros Esther
Published: June 2010

The kinetics and mechanisms of the oxidative degradation of 2,4‐dihydroxybenzoic acid (2,4‐DHBA) by the Fenton and photo‐Fenton processes were investigated in detail by a combination of HPLC, IC, and TOC analyses. The formation of 2,3,4‐trihydroxybenzoic acid (2,3,4‐THBA) at an early oxidation stage shows that hydroxylation of the aromatic ring is the first step of the process. This intermediate was able to reduce FeIII and to contribute to the recycling of FeII. Complete mineralization could only be achieved under irradiation (photo‐Fenton). A detailed study of the dependence of the rate of mineralization on the concentration of H2O2 and dissolved O2 was carried out. It was found that, even at a low initial concentration of H2O2, mineralization by the photo‐Fenton process was complete in a relatively short time, provided that the O2 concentration was high enough, indicating that O2 may, at least in part, substitute H2O2. Channeling reaction pathways toward O2 rather than H2O2 consumption is of particular interest for the technical development of the photo‐Fenton process.
Marrusidins A and B, New Epimeric Labdane Diterpenes from Marrubium anisodon
Authors: Hussain Ajaz , Perveen Shagufta , Malik Abdul , Khan Amna Nisar , Tareen Rasool Bakhsh
Published: June 2010

Marrusidins A (1) and B (2), two new labdane‐type diterpenes, were isolated from the CHCl3‐soluble subfraction of Marrubium anisodon, along with polyodonine. Their structures were assigned with the aid of 1H‐ and 13C‐NMR spectra and by COSY, HMQC, NOESY, and HMBC experiments.
Two New Daphniphyllum Alkaloids from Daphniphyllum calycinum
Authors: Luo Du‐Qiang , Zhu Wen‐Liang , Yang Xiao‐Long , Liang Shu‐Juan , Cao Zhi‐Ran
Published: June 2010

Two new daphniphyllum alkaloids named 2‐hydroxyyunnandaphnine D (1) and methyl 7‐hydroxyhomodaphniphyllate (2), together with eight known alkaloids, daphnioldhanin D, calyciphylline F, calyciphylline B, deoxycalyciphylline B, daphnicyclidin H, macropodumine C, 9,10‐epoxycalycine A, and yunnandaphnine A, were isolated from the stems and leaves of Daphniphyllum calycinum. Their structures and relative configurations were established on the basis of spectral evidence (including 2D‐NMR) and subsequently confirmed by a single‐crystal X‐ray crystallographic diffraction analysis.
Nucleotides. Part LXXVI
Authors: Kvassiouk Evgeny , Charubala Ramamurthy , Pfleiderer Wolfgang
Published: June 2010

A series of new fluorescing 8‐(6‐hydroxyhexyl)isoalloxazine (=8‐(6‐hydroxyhexyl)benzo[g]pteridine‐2,4(1H,3H)‐dione) derivatives 4–13 were synthesized from 6‐[(6‐hydroxyhexyl)amino]uracil (2) with 1‐chloro‐4‐nitrosobenzene via 8‐chloro‐10‐(6‐hydroxyhexyl)isoalloxazine (3) and subsequent substitution of the Cl‐atom of 3 by various amines (Scheme). Analogously, 8‐substituted 10‐{3‐[(2,2‐dimethyl‐1,3‐dioxolan‐4‐yl)methoxy]propyl}isoalloxazines 19, 20, and 23–25 were prepared which yielded on deprotection the corresponding 10‐[3‐(2,3‐dihydroxypropoxy)propyl]alloxazines 21, 22, and 26–28. Their conversion into the 3″‐O‐(4,4′‐dimethoxytrityl) derivatives 29–33 and subsequent transformation into the corresponding 2″‐(2‐cyanoethyl N,N‐diisopropylphosphoramidites) 34–38 led to new building blocks for oligonucleotide synthesis. A series of 21‐mer oligodeoxyribonucleotides carrying the fluorescing isoalloxazine 37 in various positions of the chain were assembled in a DNA synthesizer. Combination with the complementary sequence yielded the stable duplexes 40–54 showing by the melting temperatures Tm that the fluorophor (F) does not harm the stability of the unmodified duplex 39 (Table).
Reaction of Hydantoin with Boronic Acids
Authors: Gwynne Erin A. , Holt Jenna C. , Dwan Jerrod R. , Appoh Francis E. , Vogels Christopher M. , Decken Andreas , Westcott Stephen A.
Published: June 2010

We have examined the reaction of hydantoin (=imidazolidine‐2,4‐dione) with (formylphenyl)boronic acids, where the addition of a boronic acid group is hoped to increase bioactivities. Addition of (2‐formylphenyl)boronic acid to hydantoin gave an unexpected azaborine compound, which presumably arises by initial formation of the (phenylmethylidene)hydantoin, with subsequent loss of H2O to give the cyclized product. Reactions of (3‐formylphenyl)‐ and (4‐formylphenyl)boronic acids with hydantoin gave the corresponding [(Z)‐phenylmethylidene]hydantoins in good‐to‐excellent yields. Attempts to use (3‐formylthiophen‐2‐yl)boronic acid gave a product where the boronic acid group has been cleaved.
Photocycloaddition of Conjugated Cyclohex‐2‐enones to 2,3‐Dimethylbuta‐1,3‐diene
Authors: Inhülsen Inga , Schmidt Kerstin , Margaretha Paul
Published: June 2010

On irradiation, in the presence of 2,3‐dimethylbuta‐1,3‐diene, naphthalen‐2‐ones 1 are quantitatively and regioselectively converted to mixtures of diastereoisomeric cyclobutane adducts 3 and 4, whereas, under these conditions, 3‐(alk‐1‐ynyl)cyclohex‐2‐enones 5 give only one cyclobutane adduct 6 regio‐ and diastereoselectively. In contrast, 3‐(alk‐1‐ynyl)‐2‐methylcyclohex‐2‐enones 10 undergo [2+2]‐cycloaddition to the same diene exclusively at the C≡C bond to afford hitherto unknown 3‐cyclobutenylcyclohex‐2‐enones 11.
Oleanane Saponins and Glycerogalactolipids from the Leaves of Guapira graciliflora
Authors: Severi Juliana A. , Fertig Orlando , Plitzko Inken , Vilegas Wagner , Hamburger Matthias , Potterat Olivier
Published: June 2010

Two new saponins, 3‐O‐[β‐D‐xylopyranosyl‐(1→3)‐β‐D‐galactopyranosyl‐(1→3)‐β‐glucuronopyranosyl]oleanolic acid 28‐O‐β‐D‐glucopyranosyl ester (1) and the corresponding monodesmoside, 3‐O‐[β‐D‐xylopyranosyl‐(1→3)‐β‐D‐galactopyranosyl‐(1→3)‐β‐glucuronopyranosyl]oleanolic acid (2), have been isolated from the leaves of Guapira graciliflora (Nyctaginaceae), together with two further oleanane saponins, 3 and 4, daucosterol (5), and two known glycerogalactolipids, 6 and 7. The structures of the new compounds were established by extensive NMR and MS experiments, in conjunction with acid hydrolysis and sugar analysis. This is the first report on the phytochemistry of plants of the genus Guapira.
Sustainability of NGO capacity building in southern Africa: successes and opportunities
Authors: Humphries Debbie , Gomez Ligia , Hartwig Kari
Published: June 2010

Despite an increase in organizational capacity building efforts by external organizations in low and middle income countries, the documentation of these efforts and their effects on health programs and systems remains limited. This paper reviews key frameworks for considering sustainability of capacity building and applies these frameworks to an evaluation of the sustainability of an AIDS non‐governmental organization (NGO) capacity building initiative. From 2004–2007 Bristol‐Myers Squibb Foundation's Secure the FutureTM initiative in southern Africa funded a five country program, the NGO Training Institute (NGOTI), to build capacity of NGOs working to address HIV/AIDS. Lessons learned from this project include issues of ownership, the importance of integrating planning for sustainability within capacity‐building projects, and the value of identifying primary capacity‐building objectives in order to select sustainability strategies that are focused on maintaining program benefits. Sustainability for capacity building projects can be developed by discussing key issues early in the planning process with all primary stakeholders. Copyright © 2010 John Wiley & Sons, Ltd.
The conception of administrators regarding the formation of a healthcare consortium in Pernambuco, Brazil: a case study
Authors: Silva Keila S. Brito e , Bezerra Adriana Falangola B.
Published: June 2010

The formation of healthcare consortia is a management strategy adopted by a number of cities in Brazil in order to minimize the difficulties the population has in access to services of greater technological complexity. As administrators are the main governmental actors in the promotion of this strategy, the aim of the present study was to identify the motives, expectations and difficulties faced by the mayors, and secretaries of health that make up a healthcare consortium undergoing a formation process in the rural, coastal zone of the state of Pernambuco. A descriptive, qualitative, case study was conducted. Data collection was carried out through semi‐structured interviews held with mayors and secretaries of health of the municipalities participating in the consortium. Data were analyzed by means of content analysis, using the NVivo 2.0 software program. The administrators cited difficulty in access to specialized services and the high cost of transporting patients to distant locations for treatment as motives for the formation of the consortium. With the implantation of this healthcare strategy, the expectations are a reduction in costs regarding patient transportation, an increase in access to services of greater complexity, and negotiations with other spheres of government. The main difficulties faced are political–partisan conflicts and excessive bureaucracy. Although there were no considerable divergences in the administrators' perceptions, it was evident that those who initiated the formation of the consortium offered a deeper, more detailed discourse, thereby demonstrating greater involvement when compared to those who offered continuity to the process. Copyright © 2010 John Wiley & Sons, Ltd.
Cost analysis and efficiency of sub‐district health facilities in two districts in Ghana
Authors: Aboagye Anthony Q.Q. , Degboe Arnold N.K.
Published: June 2010

To establish the full costs borne by sub‐district health facilities in providing services, we analysed the costs and revenues of 10 sub‐district health facilities located in two districts in Ghana. The full costs were obtained by considering staff costs, cost of utilities, cost of using health facility equipment, cost of non‐drug consumables, equipment maintenance expenses, amounts spent on training, community information sessions and other outreach activities as well as all other costs incurred in running the facilities.

We found that (i) a large proportion of sub‐district health facility costs is made up of staff salaries; (ii) at all facilities, internally generated funds (IGFs) are substantially lower than costs incurred in running the facilities; (iii) average IGF is several times higher in one district than the other; (iv) wide variations exist in efficiency indicators and (v) there is some evidence that sub‐district health facilities may not necessarily be financially more efficient than hospitals in using financial resources.

We suggest that the study should be replicated in other districts; but in the mean time, the health authorities should take note of the conclusions and recommendations of this study. Efforts should also be made to improve record keeping at these facilities. Copyright © 2010 John Wiley & Sons, Ltd.
Self‐awareness of mastery and improvability of entrepreneurial competence in small businesses in the agrifood sector
Authors: Lans Thomas , Biemans Harm , Mulder Martin , Verstegen Jos
Published: June 2010

An important assumption of entrepreneurial competence is that (at least part of) it can be learned and developed. However, human resources development (HRD) practices aimed at further strengthening and developing small‐business owner–managers' entrepreneurial competence are complex and underdeveloped. A multisource assessment of owner–managers' entrepreneurial competence in a well‐defined sector was conducted to provide an answer to the research question: How do self‐assessments about mastery and improvability of entrepreneurial competence made by owner–managers relate to the same assessments made by significant others in the small‐business work environment? The data show that owner–managers rate their own mastery of entrepreneurial competence significantly lower than internal assessors in their work environment do. Furthermore, the assessors indicate many possible areas for improvement of owner–managers' entrepreneurial competence. Nonetheless, mastery and improvability patterns differ considerably between the assessors. Multisource assessments as adopted in this study can help owner–managers raise their self‐awareness, and consequently help them bypass some of their often costly trial‐and‐error learning.
Parameterization for wind–induced preferential deposition of snow
Authors: Dadic R. , Mott R. , Lehning M. , Burlando P.
Published: June 2010

In mountain regions, wind is known to cause inhomogeneous snow distribution. Recently, it has been shown that this snow distribution can be explained by considering high‐resolution flow fields created by numerical flow models. It has also been shown that small–scale deposition features are mainly caused by saltation and snow redistribution, larger‐scale inhomogeneities are caused by preferential deposition, and the total deposition patterns correlate well with the mean wind speeds. On the basis of the strong correlation between wind fields and snow depth, we develop a new empirical parameterization of preferential deposition of precipitation, which is only governed by the mean flow field. The parameterization is based on case studies, where the physically based model for wind‐induced snow transport ALPINE3D was combined with wind fields from the regional atmospheric model ARPS (Advanced Regional Prediction System). The parameterization, along with ARPS wind fields and a distributed energy balance snowmelt model, is used to simulate the 2006/2007 accumulation season over the catchment of Haut Glacier d'Arolla, a glacierized Alpine basin. The results were validated with a Light Detection and Ranging (LiDAR)‐derived fully distributed high‐resolution dataset of snow depth and show that the developed parameterization, despite being simple, is able to largely reduce the difference between modelled and measured snow depth and is suitable for application in glacier mass balance models. Copyright © 2010 John Wiley & Sons, Ltd.
The relative impacts of climate change and urbanization on the hydrological response of a Korean urban watershed
Authors: Chung Eun‐Sung , Park Kyungshin , Lee Kil Seong
Published: June 2010

We assessed the relative hydrological impacts of climate change and urbanization using an integrated approach that links the statistical downscaling model (SDSM), the Hydrological Simulation Program—Fortran (HSPF) and the impervious cover model (ICM). A case study of the Anyangcheon watershed, a representative urban region in Korea, illustrates how the proposed framework can be used to analyse the impacts of climate change and urbanization on water quantity and quality. The evaluation criteria were measurements of low flow (99, 95, and 90 percentile flow), high flow (10, 5, and 1 percentile value), pollutant concentration (30, 10, and 1 percentile value), and the numbers of days required to satisfy the target water quantity and quality for a sensitive comparison of subtle impacts of variations in these measures. Nine scenarios, including three climate scenarios (present conditions, A1B, and A2) and three land use change scenarios, were analysed using the HSPF model. The impacts of climate change on low flow (34·1–59·8% increase) and high flow (29·1–37·1% increase) were found to be much greater than those on the biochemical oxygen demand (BOD) (3·8–10·0% decrease). On the other hand, the impacts of urbanization on water quality (19·0–44·6% increase) are more significant than those on high (1·0–4·4% increase) and low flow (11·4–25·6% decrease). Furthermore, low flows are more sensitive to urbanization than high flows. The number of days required to satisfy the target water quantity and quality can be a sensitive criterion to compare the subtle impacts of climate and urbanization on human society, especially as they are much more sensitive than low flow and pollutant concentration. Finally, urbanization has a potent impact on BOD while climate change has a high impact on flow rate. Therefore, the impacts of both climate change and urbanization must be included in watershed management and water resources planning for sustainable development. Copyright © 2010 John Wiley & Sons, Ltd.
Assessment of density functionals with long‐range and/or empirical dispersion corrections for conformational energy calculations of peptides
Authors: Kang Young Kee , Byun Byung Jin
Published: June 2010

Density functionals with long‐range and/or empirical dispersion corrections, including LC‐ωPBE, B97‐D, ωB97X‐D, M06‐2X, B2PLYP‐D, and mPW2PLYP‐D functionals, are assessed for their ability to describe the conformational preferences of Ac‐Ala‐NHMe (the alanine dipeptide) and Ac‐Pro‐NHMe (the proline dipeptide) in the gas phase and in water, which have been used as prototypes for amino acid residues of peptides. For both dipeptides, the mean absolute deviation (MAD) is estimated to be 0.22–0.40 kcal/mol in conformational energy and 2.0–3.2° in torsion angles ϕ and ψ using these functionals with the 6‐311++G(d,p) basis set against the reference values calculated at the MP2/aug‐cc‐pVTZ//MP2/aug‐cc‐pVDZ level of theory in the gas phase. The overall performance is obtained in the order B2PLYP‐D ≈ mPW2PLYP‐D > ωB97X‐D ≈ M06‐2X > MP2 > LC‐ωPBE > B3LYP with the 6–311++G(d,p) basis set. The SMD model at the M06‐2X/6‐31+G(d) level of theory well reproduced experimental hydration free energies of the model compounds for backbone and side chains of peptides with MADs of 0.47 and 4.3 kcal/mol for 20 neutral and 5 charged molecules, respectively. The B2PLYP‐D/6‐311++G(d,p)//SMD M06‐2X/6‐31+G(d) level of theory provides the populations of backbone and/or prolyl peptide bond for the alanine and proline dipeptides in water that are consistent with the observed values. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010
What is the minimum number of water molecules required to dissolve a potassium chloride molecule?
Authors: Sen Anik , Ganguly Bishwajit
Published: June 2010

This work answers an unsolved question that consists of determining the least number of water molecules necessary to separate a potassium chloride molecule. The answer based on accurate quantum chemical calculations suggests that tetramers are the smallest clusters necessary to dissociate KCl molecules. The study was made with Møller‐Plesset second‐order perturbation theory modified with the cluster theory having single, double, and perturbative triple excitations. With this extensive study, the dissociation of KCl molecule in different water clusters was evaluated. The calculated results show that four water molecules stabilize a solvent separated K+/Cl− ion‐pair in prismatic structure and with six water molecules further dissociation was observed. Attenuated total reflection infrared spectroscopy of KCl dissolved in water establishes that clusters are made of closely bound ions with a mean of five water molecules per ion‐pair [K+(H2O)5Cl−]. (Max and Chapados, Appl Spectrosc 1999, 53, 1601; Max and Chapados, J Chem Phys 2001, 115, 2664.) The calculated results tend to support that five water molecules leads toward the formation of contact ion‐pair. The structures, energies, and infrared spectra of KCl molecules in different water clusters are also discussed. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010
Removal of heavy metals using a brewer's yeast strain of Saccharomyces cerevisiae: application to the treatment of real electroplating effluents containing multielements
Authors: Machado Manuela D. , Soares Eduardo V. , Soares Helena M. V. M.
Published: June 2010

BACKGROUND: Yeast cells have been recognized as an effective type of biomass for the treatment of wastewaters containing heavy metals. However, its capability to treat efficiently complex effluents loaded with several metals ions (Cr, Cu, Ni and Zn) has never been reported. The aim of this work was to study the feasibility of a hybrid technology, which combines chemical precipitation at pH 6.0 with a subsequent biotechnological‐based process (using heat‐killed cells of a flocculent brewing strain of Saccharomyces cerevisiae), to remove simultaneously several metals from real electroplating effluents.

RESULTS: Two effluents containing Cu, Ni and Zn (effluent A) or Cr, Cu and Ni (effluent B) were treated. In both effluents, pH was adjusted to 6.0; in effluent B, Cr(VI) was previously reduced to Cr(III). Chemical speciation studies allowed defining the amount of biomass to be employed with a minimum number of batches. Subsequently to pH adjustment to 6.0, effluents were fully treated with a serial batch of biomass. After the third batch, metal concentrations were lowered to below the legal limits of discharge; removals ≥ 89, 91, 92 and 94% were attained for Ni, Cu, Cr and Zn, respectively.

CONCLUSIONS: In the present work, the usefulness of using flocculent brewing yeast cells to treat complex industrial effluents loaded with several heavy metals was demonstrated. The hybrid process developed was shown to be an efficient alternative for the treatment of real electroplating effluents. Copyright © 2010 Society of Chemical Industry
A distributional analysis of social group inequality in rural India
Authors: Azam Mehtabul
Published: June 2010

This paper examines the differences in welfare, as measured by per capita expenditure (PCE), between social groups in rural India across the entire welfare distribution. The paper establishes that the disadvantage suffered by two historically disadvantaged groups‐ Scheduled Castes (SCs) and Scheduled Tribes (STs)—is underestimated when the comparison group is Non‐SCs/STs rather than General Category (GC) (mostly higher castes). The ST households are the most disadvantaged followed by the SC and the Other Backward Caste (OBC) households with respect to GC households, and the disadvantage exists across the entire distribution. Better covariates and better returns to those covariates contribute to the advantage of the GC households. Copyright © 2010 John Wiley & Sons, Ltd.
Binary phase shaping for selective single‐beam CARS spectroscopy and imaging of gas‐phase molecules
Authors: Wrzesinski Paul J. , Pestov Dmitry , Lozovoy Vadim V. , Xu Bingwei , Roy Sukesh , Gord James R. , Dantus Marcos
Published: June 2010

We report on mode‐selective single‐beam coherent anti‐Stokes Raman scattering spectroscopy of gas‐phase molecules. Binary phase shaping (BPS) is used to produce single‐mode excitation of O2, N2, and CO2 vibrational modes in ambient air and gas‐phase mixtures, with high‐contrast rejection of off‐resonant Raman modes and efficient nonresonant‐background suppression. In particular, we demonstrate independent excitation of CO2 Fermi dyads at ∼1280 and ∼1380 cm−1 and apply BPS for high‐contrast imaging of CO2 jet in ambient air. Copyright © 2010 John Wiley & Sons, Ltd.
Raman characterization of the structural evolution in amorphous and partially nanocrystalline hydrogenated silicon thin films prepared by PECVD
Authors: Li Zhi , Li Wei , Jiang Yadong , Cai Haihong , Gong Yuguang , He Jian
Published: June 2010

Hydrogenated silicon (Si:H) thin films were obtained by plasma‐enhanced chemical vapor deposition (PECVD). Raman spectroscopy was used to investigate the structural evolution in phosphor‐doped n‐type amorphous hydrogenated silicon thin films, which were prepared under different substrate temperatures and gas pressures. Meanwhile, the effect of nitrogen doping on the structure of P‐doped thin films was also investigated by Raman spectroscopy. Moreover, the transition from the amorphous state to the nanocrystalline state of undoped Si:H films deposited through low argon dilution was studied by Raman spectroscopy, X‐ray diffraction, and transmission electron microscopy. The results show that Raman spectroscopy can sensitively detect the structural evolution in hydrogenated silicon thin films deposited under different conditions in a PECVD system. Copyright © 2010 John Wiley & Sons, Ltd.
Residual benzamide contamination in synthetic oligonucleotides observed using UV resonance Raman spectroscopy
Authors: Addison Christopher J. , Konorov Stanislav O. , Georg Schulze H. , Turner Robin F. B. , Blades Michael W.
Published: June 2010

Spectroscopic methods based on Raman scattering have for many years employed synthetic oligonucleotides in a broad range of applications, either as probes or as model analytes for biophysical investigations. Benzamide is commonly used as a protecting group in the phosphoramidite synthesis of oligonucleotides and, while standard desalting used after synthesis yields sufficiently pure reagents for most assay reactions or other routine uses of the oligomer, it does not completely remove benzamide. We show that the 1609 cm−1 band of residual benzamide contamination can interfere with certain nucleic acid bands, particularly when using excitation wavelengths near 244 nm where the benzamide band is strongly enhanced. For example, the 1609 cm−1 band of benzamide could obscure (or be mistaken as) a weak vibration attributed to an NH2 scissoring. The extent of benzamide contamination in desalted preparations varies considerably among different commercial sources, and hence caution is advised when making direct comparisons of ultraviolet Raman data of oligonucleotides from different sources. Copyright © 2010 John Wiley & Sons, Ltd.
Electrospun Alginate Nanofibers with Controlled Cell Adhesion for Tissue Engineeringa
Authors: Jeong Sung In , Krebs Melissa D. , Bonino Christopher A. , Khan Saad A. , Alsberg Eben
Published: June 2010

Alginate, a natural polysaccharide that has shown great potential as a cell scaffold for the regeneration of many tissues, has only been nominally explored as an electrospun biomaterial due to cytotoxic chemicals that have typically been used during nanofiber formation and crosslinking. Alginate cannot be electrospun by itself and is often co‐spun with poly(ethylene oxide) (PEO). In this work, a cell adhesive peptide (GRGDSP) modified alginate (RA) and unmodified alginate (UA) were blended with PEO at different concentrations and blending ratios, and then electrospun to prepare uniform nanofibers. The ability of electrospun RA scaffolds to support human dermal fibroblast cell attachment, spreading, and subsequent proliferation was greatly enhanced on the adhesion ligand‐modified nanofibers, demonstrating the promise of this electrospun polysaccharide material with defined nanoscale architecture and cell adhesive properties for tissue regeneration applications.

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Structural Analysis of Liquid Crystal Polymer Based Nanocomposites by X‐Ray Scattering
Authors: Bandyopadhyay Jayita , Ray Suprakas Sinha , Bousmina Mosto
Published: June 2010

The main theme of this work is to support the unusual melt‐state rheological properties of the clay‐containing nanocomposites of thermotropic liquid crystal polymers by small‐ and wide‐angle X‐ray scattering. The changes of dispersion of silicate particles in the LCP matrix as well as change in crystal growth of LCP were extensively studied by X‐ray scattering in both small‐ and wide‐angle regions. The generalised indirect Fourier transformation technique developed by Glatter was used to study the structural changes in nanocomposites with temperature. This is a new approach recently proposed by us for the quantitative analysis of the nanoparticles dispersion in the polymer matrix.

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Characterization of New Amphiphilic Block Copolymers of N‐Vinylpyrrolidone and Vinyl Acetate, 2 ‐ Chromatographic Separation and Analysis by MALDI‐TOF and FT‐IR Coupling
Authors: Fandrich Nick , Falkenhagen Jana , Weidner Steffen M. , Staal Bastiaan , Thünemann Andreas F. , Laschewsky André
Published: June 2010

PVP‐block‐PVAc block copolymers were synthesized by controlled radical polymerization applying a RAFT/MADIX system and were investigated by HPLC and by coupling of chromatography to FT‐IR spectroscopy and MALDI‐TOF MS. Chromatographic methods (LACCC and gradient techniques) were developed that allowed a separation of block copolymers according to their repeating units. The results of the spectroscopic and spectrometric analysis clearly showed transfer between radicals and process solvent. With the use of hyphenated techniques differences between main and side products were detected. In agreement with previously published results, obtained by NMR, SEC, static light scattering and MALDI‐TOF MS, our data proved a non‐ideal RAFT polymerization.

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A Simple Water‐Based Synthesis of Au Nanoparticle/PDMS Composites for Water Purification and Targeted Drug Release
Authors: Scott Adina , Gupta Ritu , Kulkarni Giridhar U.
Published: June 2010

AuNP/PDMS nanocomposites have been synthesized in the form of gels, foams, and films with distinctive structure and morphology. A simple in situ process in aqueous medium for the formation of such composite materials is described. The nanoparticles are held firmly within the PDMS while still being chemically accessible to substances soluble in PDMS. We demonstrate the utility of this property for water purification applications such as removing aromatic solvents and sulfur‐containing contaminants from water. The contaminants can be freed from the composite with a simple thermal treatment, allowing the material to be reused. We also demonstrate chemically selective uptake and release of a fluorescent dye by the nanocomposite as a drug delivery model system.

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Heterogeneity of Nanofilled EPDM Elastomers Investigated by Inverse Laplace Transform 1H NMR Relaxometry and Rheometry
Authors: Moldovan Dumitrita , Fechete Radu , Demco Dan Eugen , Culea Eugen , Blümich Bernhard , Herrmann Volker , Heinz Manfred
Published: June 2010

The heterogeneous effects due to filler interactions and chain dynamics of reinforcing nano‐filler particles were characterized on a series of filled EPDM elastomers using the Payne effect and low field NMR, 1H transverse (T2), longitudinal (T1) and longitudinal in rotating frame (T1ρ) relaxation time measurements. Measurement of the Payne effect and NMR relaxation curves were used to obtain the distribution of filler/filler interactions and chain dynamics by one‐dimensional Laplace inversion. Distributions of shear‐strain constants in the Payne effect reveal the existence of weak, medium and strong filler/filler interactions which were correlated to filler properties and content. The analysis of relaxation‐time distributions leads to the identification of multimodal polymer network dynamics.

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Diels–Alder Cycloaddition‐Cycloreversion: A Powerful Combo in Materials Design
Authors: Sanyal Amitav
Published: June 2010

Reactive polymers are increasingly becoming materials of wide interest because they offer solutions to challenges in biomolecular immobilization, drug‐delivery and enzyme modifications. The Diels–Alder (DA) cycloaddition and the retro Diels–Alder (rDA) cycloreversion reaction in combination enables synthesis of maleimide based reactive polymeric materials. Also, the DA cycloaddition offer a reagent‐free ‘click’ reaction to construct various macromolecular architectures. Furthermore, the thermally reversible nature of the DA adducts makes them attractive building blocks for the design of thermoreversible materials. A discussion of some of the author's own research work in this area is presented in this article within the context of recent reports in polymer chemistry employing this reaction combo.

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Electrospun Polycaprolactone/Silk Fibroin/Small Intestine Submucosa Composites for Biomedical Applications
Authors: Hong Soongee , Kim Geun Hyung
Published: June 2010

Natural biomaterials were used to improve the biocompatibility of synthetic biopolymers. PCL was electrospun with natural biopolymers, silk fibroin, and small intestine submucosa. Due to increased electrical conductivity, the diameter of the composite fibers highly depended on the amount of SIS in the polymer solution. PCL/SF/SIS electrospun composites exhibited various synergistic effects, including enhanced mechanical properties and incredibly improved hydrophilicity compared to those of pure PCL and PCL/SF fibers. An initial cell attachment test demonstrated that the interactions between PC‐12 nerve cells and the PCL/SF/SIS composites were more favorable than those between PC‐12 cells and a PCL/SF composite.

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Efficient DNA Binding and Condensation Using Low Molecular Weight, Low Charge Density Cationic Polymer Amphiphiles
Authors: Mindemark Jonas , Bowden Tim
Published: June 2010

A new class of biodegradable cationic macromolecules for DNA binding and condensation was developed by end‐group‐functionalization of poly(trimethylene carbonate). A series of one‐ and two‐armed structures was synthesized and their interaction with DNA was evaluated. To aid data interpretation, a non‐linear modeling method was applied to show efficient DNA binding that was intimately related to cationic charge density and macromolecular architecture. One‐armed, low charge density structures were consistently found to bind to DNA at lower charge ratios than their two‐armed, high charge density counterparts. This suggests that polymer backbone structure and characteristics are important considerations in the development of efficient cationic polymer systems for DNA condensation and delivery.

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