bluuebunny/crossref_metadata_2025_split huggingface dataset:
Linearly Aligned Metal Clusters: Versatile Reactivity and Bonding Nature of Tetrametal M–Mo–Mo–M Complexes (M = Pt, Pd, Ir, and Rh) Supported by 6-Diphenylphosphino-2-pyridonato Ligand
Authors: Mashima Kazushi 
Published: March 2010

Abstract
A tridentate ligand, pyphos (6-diphenylphosphino-2-pyridonato), was utilized to prepare tetrametal complexes since this ligand has unique coordinating sites comprised of three different elements, i.e., phosphorus, nitrogen, and oxygen, in almost linear fashion. By using pyphos ligand, linearly aligned tetrametal complexes of group 10 metals [Mo2M2(pyphos)4X2n] (M = Pt and Pd; n = 0, 1, and 2) were prepared, and for group 9 metals, [Mo2M2(pyphos)4(RNC)4X2n]2+ (M = Ir and Rh; n = 0 and 1). Fully metal-to-metal bonded complexes were obtained by reduction of MII to MI for group 10 metals and by oxidation of MI to MII for group 9 metals. Both reactions afforded complexes having unique M–Mo≡Mo–M skeletons, i.e., metalla-2-butyne. Structural and chemical properties were systematically investigated for M0 (M = Pt and Pd) and MI (M = Ir and Rh). Thus, oxidative reactions of Pd0 complexes [Mo2Pd2(pyphos)4] and IrI complexes [Mo2Ir2(pyphos)4(RNC)4]2+ with RX or X2 were studied and unique 1,4-addition reaction was demonstrated. Dichromium complexes analogous to dimolybdenum complexes were prepared and axial donation of PtMe2 moiety significantly elongated the Cr–Cr bond, due to the dative bonding interaction between CrII and PtII units.
Quantitative Structure–Toxicity Prediction of log(1/EC50) for Some Benzene Derivatives from Their Density Functional Theory Calculated Molecular Descriptors
Authors: Haghdadi Mina , Fatemi Mohammad H 
Published: March 2010

Abstract
In this work the 50% effective inhibition concentration after 48 h (log(1/EC50)) of 39 substituted benzenes to the algae Scenedesmus obliquus was predicted by quantitative structure–toxicity relationship (QSTR) approaches. Descriptors which appeared in the best model are; highest occupied molecular orbital, molecular weight, lowest unoccupied molecular orbital, chemical potential, zero point energy, and hardness parameters. These descriptors were obtained from density functional theory (DFT) calculation at B3LYP level together with 6-31G* basis set. Results of this modeling provide the statistics of R = 0.91, F = 19, and SE = 0.30 for training set and R = 0.91, F = 18, and SE = 0.34 for test set. Also the average error and average absolute error in the prediction of log(1/EC50) are −0.00041 and 0.198 for training set and for prediction set are −0.056 and 0.217, respectively. Moreover, the credibility of the model was tested by cross-validation and Y-scrambling, the results of these tests indicated the reliability of the model. The results of this investigation show that it was possible to predict the molecular toxicity of organic compounds from their DFT-calculated molecular descriptors.
The Evaluation Theory of Free Radical Scavenging and the Application to Xanthine Oxidase
Authors: Mitsuta Keiichi 
Published: March 2010

Abstract
A competitive reaction theory in which flexibility is given to the orders of reaction has been established. As a result of an analysis based on this novel theory, the stoichiometric coefficients of the reactions between superoxide dismutase (SOD) and superoxide radicals (O2−•), between xanthine oxidase (XOD) and O2−•, and between 5,5-dimethyl-1-pyrroline N-oxide (DMPO) and O2−• have all been estimated to be 1:1. Furthermore, the hitherto unknown second-order rate constant for the reaction between XOD and O2−• has been estimated to be 1.4 × 106 or ca. 8.0 × 105 M−1 s−1. It is considered that the presence of the SOD-like activity possessed by XOD itself is one of the causes of the puzzling fact reported that the amount of O2−• observed in a xanthine–XOD system is smaller than the anticipated amount by one order of magnitude. In addition, this SOD-like activity of XOD may cause researchers to underestimate the rate constant for the reaction between O2−• and a spin-trapping agent when the spontaneous dismutation of O2−• in the presence of XOD was used as a competitor against the spin-trapping reaction for O2−•.
Salt Effects on the Rates and Mechanisms of Solvolysis Reaction of Organic Halides and Water Structure Distortion in N,N-Dimethylformamide– and N,N-Dimethylacetamide–Water Mixed Solvents
Authors: Hojo Masashi , Ueda Tadaharu , Ueno Eriko , Hamasaki Tensei , Nakano Toshiyuki 
Published: March 2010

Abstract
In 50% (v/v) DMF– and DMA–H2O mixed solvents, salt effects on the solvolysis reaction rates of aliphatic halides and related compounds (RX) have been examined for further exploring. Compared with previous results obtained in other organic solvent systems, such as 50% (v/v) acetone–, 1,4-dioxane–, or sulfolane–H2O, no exceptional behavior was observed in the “pseudo” first-order rate constants (k/s−1) of all the typical SN1 and SN2 substrates by the addition of alkali metal and alkaline earth metal perchlorates or many kinds of tetraalkylammonium salts in 50% (v/v) DMF– and DMA–H2O mixed solvents. The detailed examination of Δlog(k/s−1)/Δ[LiClO4] for 1-adamantyl bromide vs. the contents of organic solvents (CH3CN, DMA, and DMSO) suggested that the observed different salt effects were caused by the different solvation abilities of the solvents toward the leaving-group anion as well as the metal cation. As a new highlight in the present paper, we were able to demonstrate a proportionality or correlation between the LiClO4 effects in the solvolysis rates and the carbocation stabilities expressed by the Gibbs free energy values (ΔGo) of RX in the gas phase. Based on the Raman spectra of DMA–H2O and DMA–D2O as well as DMF–D2O mixed solvents, we discuss the distortion of the bulk water structure.
Organoammonium Salt-Catalyzed Enantioselective Cycloaddition Reactions with α-(Acyloxy)- or α-Diacylaminoacroleins
Authors: Sakakura Akira , Ishihara Kazuaki 
Published: March 2010

Abstract
The rational design of small-molecule chiral catalysts is an important subject in the development of practical organic syntheses. We have designed primary ammonium salt catalysts for enantioselective cycloaddition reactions with α-substituted acroleins such as α-(acyloxy)acroleins and α-diacylaminoacroleins. Ammonium salts of an aliphatic triamine derived from H–l-Phe–l-Leu–N(CH2CH2)2 successfully promote the Diels–Alder reaction of α-(acyloxy)acroleins and α-(N,N-diacylamino)acroleins, and the [2 + 2] cycloaddition reaction of α-(acyloxy)acroleins with high enantioselectivity. An ammonium salt of a C2-symmetric aromatic diamine, 1,1′-binaphthyl-2,2′-diamine, with a superacid is also an efficient catalyst and shows high activity and enantioselectivity for the Diels–Alder reaction of cyclic dienes with α-(acyloxy)acroleins.
Calcium dobesilate and oxerutin: effectiveness of combination therapy
Authors: Akbulut B 
Published: March 2010

Objectives Chronic venous insufficiency (CVI) is an important cause of discomfort and inability to work. Hydroxyethylrutosides (Venoruton®; 0-[beta-hydroxyethyl]-rutosides) has been used for decades for the treatment of CVI. Studies have reported symptomatic relief and a decreased capillary filtration after the administration of the oral preparations. Calcium dobesilate is a synthetic venoactive drug acting on several levels. It inhibits capillary permeability; it has antioxidant properties; and it inhibits the synthesis of prostaglandins and thromboxanes, reducing platelet and erythrocyte aggregation, as well as blood viscosity. The aim of this study is to determine whether the combination of both drugs is more effective in decreasing patients' complaints. Methods One hundred and fifty patients with primary venous insufficiency were randomized into three groups: Group A receiving calcium dobesilate only, Group B receiving oxerutin only and Group C receiving both calcium dobesilate and oxerutin. Patients were evaluated with a questionnaire before and four weeks after treatment regarding following parameters: itching, fatigue, heaviness, numbness, cramp, swelling and sensitiveness. Patients rated their symptoms from 0 to 4 (0: absent; 1: mild; 2: moderate; 3: severe; 4: very severe). Results Complaints, which were scored by patients before and after treatment, decreased. Among the single-drug groups, itching score decreased more in Group B, whereas scores of fatigue, heaviness, numbness, cramp and swelling decreased more in Group A. But the difference was not significant, statistically. But all complaints decreased significantly in Group C. Difference of scores after treatment revealed no statistical significance in Group A and B, but scores of Group C produced a significant difference when compared with Group A and B. Conclusion Results demonstrate that a combination of calcium dobesilate and oxerutin shows a better improvement of complaints. These observations have to be confirmed in larger series with objective tests. Changes of quality of life after a combination therapy might also be of interest.
Use of durometry in assessment of venous disease
Authors: Choh C T P , Wall M L , Brown M D , Nicolson A M , Simms M H 
Published: March 2010

Objectives Ulceration of the lower limbs is a common debilitating complication of chronic venous hypertension. Detection of preulcerative skin changes would allow for identification of high-risk patients; early active treatment may prevent ulcer formation. Methods Patients with isolated venous disease and volunteers attending outpatient clinics underwent assessment of their clinical, aetiological, anatomical and pathological (CEAP) classification. We employed an industrial durometer, an instrument that measures the hardness of metals and plastic, to assess skin induration. The durometer probe was rested perpendicular on their skin 15 cm above the medial malleolus in non-ulcerated tissue, with the patient and limb in recumbency. The average of four measurements was derived. Results In 107 people, 203 lower limbs (mean age 55.6 years) were assessed. A significant difference in durometry readings was demonstrated between patients with CEAP classes 0, 1 and 2, and those with classes 4, 5 and 6 ( P < 0.0005). There was statistically significant evidence that age and CEAP classification correlated with durometry ( P < 0.0001). Conclusion Durometry is of potential value in the assessment and monitoring of preulcerative venous disease, and could help to identify high-risk patients. This would assist in the institution of timely and appropriate treatment.
Current prescribing patterns of elastic compression stockings post-deep venous thrombosis
Authors: Roche-Nagle G , Ward F , Barry M 
Published: March 2010

Objectives Post-thrombotic syndrome (PTS) is a complication of deep vein thrombosis (DVT) characterized by chronic pain, swelling and heaviness, and may result in ulceration. Elastic compression stockings (ECS) worn daily after DVT appear to reduce the incidence and severity of PTS. The aims of our study were to investigate practices and perceptions of DVT patients and physicians regarding the use of ECS after DVT. Methods Two surveys were conducted. The first was sent to 225 staff and trainee clinicians and the second was administered to 150 DVT patients. Results The results demonstrated that the majority of senior staff (75%) believed that ECS were effective in preventing PTS and in managing venous symptoms. However, this was in contrast with junior trainees (21%) ( P < 0.05). This resulted in only 63% of patients being prescribed ECS post-DVT. There was a lack of consensus as regards the optimal timing of initiation of ECS, duration of therapy and compression strength. Nearly all DVT patients who were prescribed ECS purchased them, 74% wore them daily, and most (61%) reported that ECS relieved swelling and symptoms. Physicians correctly predicted the main reasons for non-compliance, but misjudged the scale of patient compliance with ECS. Conclusions Our findings suggest that there is a lack of consensus among doctors regarding ECS use after DVT and widespread education regarding the latest evidence of the benefit of ECS after DVT.
Conservatively treated massive prolapsed discs: a 7-year follow-up
Authors: Benson RT , Tavares SP , Robertson SC , Sharp R , Marshall RW 
Published: March 2010

INTRODUCTION The natural history of a lumbar hernia of the nucleus pulposus (HNP) is not fully known and clear indications for operative intervention cannot be established from the literature. Several studies have shown that the largest discs appear to have the greatest tendency to resolve. The aim of this study was to investigate whether massive prolapsed discs can be safely managed conservatively once clinical improvement has occurred. PATIENTS AND METHODS Thirty-seven patients were studied by clinical assessments and serial magnetic resonance imaging (MRI) over 2 years. Patients had severe sciatica at first, but began to show clinical improvement despite the large disc hernia-tions. Clinical assessment included the Lasegue test and neurological appraisal. The Oswestry Disability Index was used to measure function and changes in function. Serial MRI studies allowed measurement of volume changes of the herniated disc material over a period of time. RESULTS Initial follow-up at an average of 23.2 months revealed that 83% had a complete and sustained recovery at the initial follow-up. Only four patients required a discectomy. The average Oswestry disability index improved from 58% to 15%. Volumetric analysis of serial MRI scans found an average reduction of 64% in disc size. There was a poor correlation between clinical improvement and the extent of disc resolution. CONCLUSIONS A massive disc herniation can pursue a favourable clinical course. If early progress is shown, the long-term prognosis is very good and even massive disc herniations can be treated conservatively.
Improving the quality of procedure-specific operation reports in orthopaedic surgery
Authors: Barritt Andrew W , Clark Laura , Cohen Adam MM , Hosangadi-Jayedev Naveen , Gibb Paul A 
Published: March 2010

INTRODUCTION The objectives of this study were to: (i) assess whether handwritten operation reports for hip hemi-arthroplasties adhere to The Royal College of Surgeons of England (RCSE) guidelines on surgical documentation; (ii) improve adherence to these guidelines with procedure-specific computerised operation reports; and (iii) improve the quality of documentation in surgery. PATIENTS AND METHODS Thirty-three parameters based on RCSE guidelines were used to score hip hemi-arthroplasty operation reports. The first audit cycle was performed retrospectively to assess 50 handwritten operation reports, and the second cycle prospectively to assess 30 new computerised procedure-specific operation reports produced for hip hemi-arthroplasties. Eighty patients undergoing hip hemi-arthroplasty in a department of orthopaedic surgery within a UK hospital between September 2007 and August 2008 formed the study cohort. RESULTS The main outcome measure was the average scores attained by handwritten versus computerised operation reports. Handwritten reports scored an average of 58.7%, rising significantly (P < 0.01) to 92.8% following the introduction of detailed, computerised proformas for the operation note. Adherence to each RCSE parameter was improved. CONCLUSIONS Computerised proformas reduce variability between different operation reports for the same procedure and increase their content in line with RCSE recommendations. The proformas also constitute a more robust means of operative documentation.
Over a thousand ambulatory hernia repairs in a primary care setting
Authors: Dhumale R , Tisdale J , Barwell N 
Published: March 2010

INTRODUCTION This paper outlines the development and feasibility of a dedicated ambulatory primary care hernia service and examines the outcomes achieved during the period 1 March 2005 to 31 December 2008. PATIENTS AND METHODS A prospective analysis of 1164 patients who underwent abdominal wall hernia repair at Probus Surgical Centre during the study period. The operations were carried out by two GPs with a special interest (GPwSI) and one retired surgeon. The techniques used were a Lichtenstein mesh repair or modified Shouldice repair for inguinal hernias and a primary sutured repair for ventral hernias. All procedures were performed as day-cases under local anaesthesia without sedation. All patients were reviewed routinely at 6 weeks. The primary outcomes of the study were recurrence and patient satisfaction levels, and complications such as infection, haematoma and chronic pain. RESULTS No patient required conversion to general anaesthesia. There were three (0.3%) recurrences. Complication rates were low and similar to those obtained in other specialist hernia units. More than 90% of patients were satisfied with the service and would recommend it to a friend. CONCLUSIONS Routine elective abdominal wall hernia repairs can be performed in a primary care setting, safely and with excellent outcomes.
Vertebral compression fractures – new clinical signs to aid diagnosis
Authors: Langdon James , Way Adam , Heaton Samuel , Bernard Jason , Molloy Sean 
Published: March 2010

INTRODUCTION Acute osteoporotic vertebral compression fractures are common and usually managed conservatively. However, a significant number will remain symptomatic, causing significant pain with considerable associated morbidity and mortality. These fractures can be effectively treated with cement augmentation. However, it is impossible to distinguish between an acute and a chronic healed fracture on plain radiographs. The definitive investigation is a magnetic resonance scan. The aim of this paper is to describe and evaluate two new clinical signs to help in the diagnosis of symptomatic fractures. A prospective study of 83 patients with suspected acute osteoporotic vertebral compression fractures was carried out. All patients had a full clinical assessment, which included closed-fist percussion of their spine and asking the patient to lie supine on the examination couch. All patients had a MRI scan. RESULTS The closed-fist percussion sign had a sensitivity of 87.5% and a specificity of 90%. The supine sign had a sensitivi-’ of 81.25% and a specificity of 93.33%. CONCLUSIONS These tests will enable the practitioner to predict more accurately which patients have an acute fracture, guiding referral for further imaging.
Ureteric bupivicaine infusion for loin pain haematuria syndrome
Authors: Ahmed P , Acher P , Deane AM 
Published: March 2010

INTRODUCTION Loin pain haematuria syndrome is a common problem with complications including opiate dependence. Morbidity treatments include intra-ureteric capsaicin infusion, nephrectomy, autotransplantation and nephrolysis. We explored the use of flexible cystoscopic infusion of intra-ureteric bupivicaine. PATIENTS AND METHODS Patients presenting with chronic loin pain underwent urological and nephrological evaluation. Bupivicaine (0.5%, 20 ml) was infused via an intra-ureteric catheter under flexible cystoscopic guidance. Repeat infusions were offered if indicated. RESULTS Sixteen of 17 patients with 1-year follow-up responded and were satisfied. Twelve of these required repeat infusions (mean, 2.9 infusions). The procedures were well tolerated by all patients without adverse effects. CONCLUSIONS Intra-ureteric bupivicaine infusion has a place in the management of patients with chronic renal pain. It offers a minimally invasive alternative to other treatments. This procedure warrants further investigation within a randomised, controlled trial setting.
A Study to Assess the Quality of Information in Referral Letters to the Orthodontic Department at Kingston Hospital, Surrey
Authors: Izadi Maryam , Gill Daljit S , Naini Farhad B 
Published: March 2010

Aim To assess the quality of information included in referral letters sent to the orthodontic department at Kingston Hospital, Surrey, UK. Methods Referral letters sent by both general dental practitioners (GDPs) and specialist orthodontists were analysed retrospectively in order to ascertain the percentage meeting the inclusion criteria as suggested by Mossey (2006) and the British Orthodontic Society (2008) for the quality of information included in an ideal orthodontic referral letter. Thirty-five consecutive letters sent between May and September 2005 and 206 letters sent in the same period in 2008 were collected by hand and analysed against the inclusion criteria. The numbers of referral letters received from GDPs, specialist orthodontists, and others sources were also determined. Results Most of the referrals sent in 2005 and 2008 included 40–50% of the referral inclusion points. This was despite an almost twofold increase in the number of referral letters received from specialist orthodontic practitioners in 2008. The majority of the letters, from both GDPs and specialists, did not include details of the oral hygiene or caries status of the patient, or an indication of their motivation towards treatment. None of the referral letters included a plaque score. Conclusion The main weaknesses in the quality of information provided in referral letters were that in more than 80% of the letters there was no mention of the patient's medical history and no comment on caries status, the standard of oral hygiene, patient motivation for treatment, or an Index of Orthodontic Treatment Need score. The quality of information included in referral letters sent to Kingston Hospital orthodontic department needs to be improved.
An Audit of Smoking Behaviours among Patients Attending two General Dental Practices in South Wales: An Awareness-Raising Exercise for the Dental Team and Patients
Authors: Richards Wayne , Higgs Gary 
Published: March 2010

Aims This audit aimed to quantify the number of smokers attending two general dental practices. It also aimed to establish the demographic characteristics of these smokers in terms of age, gender and deprivation status, and to raise the awareness of practice staff about smoking cessation. Methods Data were collected from consecutive patients (aged over 16 years) attending two general dental practices over a period of one month. The information collected included smoking status, number of cigarettes smoked, age, gender, and postcode. A deprivation score (derived from the Welsh Index of Multiple Deprivation [WIMD] for 2008) was appended to each patient record in order to provide a measure of deprivation based on the postcode of the patient. Staff at both practices were involved in the audit. Staff were given a brief pre- and post-audit questionnaire to test their knowledge on smoking cessation. The audit standard was that no more than 29% of patients should be smokers. Where relevant, data were statistically tested using the chi-square test. Results Five hundred and sixty-one patients provided data on their smoking habits. It was found that 159 (28.3%) were smokers, smoking on average 12 cigarettes per day. The average age of the sample was 46 years and 242 (43.1%) were male. Forty-eight per cent of the sample was shown to be resident in a postcode considered to be deprived. Older patients were more likely to be non-smokers ( P=0.0001). Following the final audit meeting, correct answers among staff for knowledge of the National Institute for Health and Clinical Excellence guidelines regarding effective smoking-cessation practices improved from 6% to 71%. Conclusion The issue of smoking cessation has been highlighted for two dental teams. Whether the audit will result in the delivery of smoking-cessation procedures within the dental practice settings cannot be established. It is clear that the desired smoking-cessation behaviours can now be contemplated by the dental teams. Further monitoring is required to establish outcomes as a result of the actions of the teams.