Contrary to expectations, Helianthus anomalus from the relatively

Contrary to expectations, Helianthus anomalus from the relatively mesic dune sites, on average, exhibited higher native embolism, lower soil-to-leaf hydraulic conductance (k(L)) and lower transpiration rates, than its xeric analogue, H. deserticola. In transplant gardens, H. anomalus’ vulnerability to cavitation was unaffected by transplant location AZD8055 cell line or watering treatment. In H. deserticola, however, vulnerability to cavitation varied significantly in response to watering in transplant gardens and varied as a function of stem water potential (Psi(stem)). H. deserticola largely avoided cavitation through its higher water status and generally more resistant

xylem, traits consistent with a short life cycle and typical drought-escape strategy. By contrast, H. anomalus’ higher native embolism is likely to be adaptive by lowering plant conductance and transpiration rate, thus

preventing the loss of root-to-soil hydraulic contact in the coarse sand dune soils. For H. anomalus this dehydration avoidance strategy is consistent with its relatively long 3-4 month life cycle and low-competition habitat. We conclude that variance of hydraulic parameters in herbaceous plants is a function of soil moisture heterogeneity and is consistent with the notion that trait plasticity to fine-grained environmental variation can be adaptive.”
“The influence of hydrogen and vacuum annealing on the structural, electronic, and magnetic properties of Ni-doped ZnO pellets viz. Zn(0.95)Ni(0.05)O has been investigated CA4P using x-ray diffraction (XRD), magnetization, resistance measurements, buy AR-13324 and x-ray photoelectron spectroscopy (XPS). Rietveld refinement of the XRD patterns confirms that all the polycrystalline samples possess wurtzite

type hexagonal structure with no evidence of secondary phases. The superconducting quantum interference device magnetometry measurements exhibit a paramagnetic state for the as-synthesized Zn(0.95)Ni(0.05)O. However, the post annealing in H(2) as well as in vacuum, drive it to a ferromagnetic state at 300 K. The obtained values of coercivity are 177 and 270 Oe, and the saturation magnetizations are 1.67 and 1.91 emu/g, respectively, for the H(2) and vacuum annealed samples. Temperature dependent magnetization results show that the Curie temperatures are nearly the same (similar to 550 K) for both the annealed samples. Resistance of the annealed samples is three orders of magnitude lower than their as-synthesized counterparts. The XPS results confirm bivalency of Ni ions and creation of O vacancies upon annealing, due to the Ni (3d)-O (2p) hybridization. The ferromagnetism and the consequent electronic property changes are reversible with regard to reheating the samples in air, in agreement with the reported switch “”on”" and “”off”" ferromagnetic ordering in the doped ZnO. (C) 2011 American Institute of Physics. [doi:10.1063/1.

In low-resource settings,

In low-resource settings, selleck screening library the newborn care training package appears to be an effective intervention to decrease perinatal mortality.”
“Context: This article presents specific approach for microencapsulation of Lactobacillus casei using emulsion method followed by additional coating with whey protein.

Methods: Experimental design was employed using polynomial regression model at 2nd level with three independent variables, concentrations of alginate, whey protein and CaCl2.

Physicochemical, biopharmaceutical and biological properties were investigated.

Results: In 11 series generated, negatively charged microparticles were obtained, with size 6.99-9.88 mu m, Ca-content 0.29-0.47mg per 10mg microparticles, and viability of the probiotic 9.30-10.87 log(10)CFU/g. The viability after 24 hours in simulated gastrointestinal conditions was between 3.60 and 8.32 log(10)CFU/g.

Discussion: Optimal formulation of the microparticles that

ensures survival of the probiotic and achieves controlled delivery was determined: 2.5% (w/w) alginate, 3% (w/w) CaCl2 and 3% (w/w) whey protein.

Conclusion: The advantageous properties of the L. casei-loaded microparticles make them suitable for incorporation in functional food and/or pharmaceutical products.”
“Catalytic chlorination of alkanes, cycloalkanes, and adamantane utilizing tetrachloromethane as the source of chlorine GDC-0068 and applying catalysts containing manganese, molybdenum, vanadium, and iron activated with nitrile ligands, alcohols, and water was fulfilled. The optimum ratios of catalysts and reagents and the best reaction conditions were found for selective synthesis of chlorine-substituted check details hydrocarbons derivatives.”
“Background: The United States and Coalition countries

initiated mentoring in Afghanistan as a means of training the Afghan people for independence, to include democratic self-governance and national defense. Several medical Embedded Training Teams are executing the medical component of the mentoring mission at Afghan Army hospitals around the country.

Objectives: To provide a brief synopsis of Afghanistan history, review the status of Afghanistan health care, and provide an overview of pharmacy mentoring efforts by an Air Force pharmacist and pharmacy technician at Kandahar Regional Military Hospital.

Summary: Afghanistan health care has suffered from neglect, and improving health care in the country is an important part of bolstering their military and the country as a whole. Afghanistan is rebounding from decades of civil war and occupation from a number of oppressive regimes, and the Afghan military faces considerable challenges. Challenges specific to military pharmacy include lack of established policies and procedures, medication shortages, medication quality issues, and lack of basic equipment, supplies, and training.


“Objective The aim of this retrospective study was to det


“Objective. The aim of this retrospective study was to determine the relevance of 5 different imaging signs in the evaluation of carotid artery invasion.

Subjects and methods. Between September 2001 and September 2008, 22 patients (20 men and 2 women) presented with lymph node metastasis of a head and neck squamous cell LY411575 solubility dmso carcinoma that invaded the carotid artery. The patients received either carotid artery dissection (CAD, group 1 [n = 17]) or carotid resection (group 2 [n = 5]). Preoperative images using CT (n = 18) and/or MRI (n = 14) were analyzed.

Results. In 1 of 17 cases in group 1 and in 5 of 5 cases in group 2, encasement of more than 180 degrees of the artery was present

(P < .05). Segmental obliteration of the fat between the lymph node and the carotid artery was noted in 7 of 17 cases in group 1 and for all cases in group 2 (P < .05). Deformation of the carotid artery was reported in no cases in group 1 and in all cases in group 2 (P < .05).

Conclusion. The combination of deformation of the carotid artery, encasement of more than 180 degrees of the

carotid perimeter, and segmental obliteration of the fat between the adenopathy and the carotid artery was highly predictive of massive invasion of the carotid artery, which would require a resection en bloc. In comparison, the isolated existence of encasement of more than 180 degrees or segmental obliteration of fat could not strictly indicate massive invasion of the carotid artery; thus, CAD could be planned. (Oral Surg Oral Med selleck inhibitor Oral Pathol Oral Radiol Endod 2010; 109: 775-778)”
“Several plasma lipoprotein disorders are classic modifiable risk factors for atherosclerotic cardiovascular disease, and they arise from various causes. Other forms of lipoprotein disorder are associated with pathological

consequences such as acute pancreatitis. Like many other risk factors, most lipoprotein disorders are the result of gene environment interactions. Furthermore, lipoprotein disorders may be secondary to other disease states. The pattern of lipid disturbance selleck screening library and its clinical consequences are best understood in terms of disruption to the normal metabolism of lipoproteins, levels of which may increase or decrease accordingly. This article reviews the framework of the classification of lipoprotein disorders in order to consolidate a clinical approach that is based on the etiology and pathophysiology of the underlying metabolic disturbance.”
“Objective. The objective of this study was to evaluate in vivo the revascularization and the apical and periapical repair after endodontic treatment using 2 techniques for root canal disinfection (apical negative pressure irrigation versus apical positive pressure irrigation plus triantibiotic intracanal dressing) in immature dogs’ teeth with apical periodontitis.

Study design.

These data were used with population projections to model the num

These data were used with population projections to model the number of cancers that would develop in the future. Variant estimates were undertaken with high/low rates of migration and life expectancy and by varying the rate of change in the incidence of oesophageal cancer. The principal projection JQ-EZ-05 showed that, compared with the 2007 baseline, the number of oesophageal cancers in men is predicted to rise by 20% by 2014 and by 40% by 2020. In women, after an initial predicted decline, the

number of cancers is predicted to rise above the 2007 baseline by 2012 and to be 5% higher by 2023. The variant projections showed that only a small effect was likely to be caused by changes in net migration (<1% change by 2030) and life expectancy

(1% change by 2020). The effect of a 1% increase or decrease in the rate of change of incidence had a more marked effect (10% change by 2017 or 2018). None of the modelled scenarios resulted in an overall decrease in the number of projected ASP2215 research buy cases because of the change in population demographics. The number of cases of oesophageal cancer in England is likely to continue to increase. European Journal of Cancer Prevention 20: 283-286 (C) 2011 Wolters Kluwer Health vertical bar Lippincott Williams & Wilkins.”
“Oral Diseases (2012) 18, 748755 Objective: Poor oral health has previously been related to high body mass index (BMI). We aimed at exploring the link between BMI and several oral health markers, after adjustment for dietary patterns and plasma insulin, both of which could act as mediators. Subjects and Methods: Dental examination was performed in a sample of 186 French subjects aged 3564 years and selected from the general population to assess number of missing teeth, periodontitis, clinical attachment loss (CAL), BMS-754807 in vitro probing pocket depth (PD), gingival index (GI) and plaque index (PI). Data collection also included a food-frequency questionnaire. BMI (considered as outcome variable) was categorized into quartiles, and as BMI<25; 25 =BMI<30; and BMI =

30 kg m-2. Results: After adjustment for age, gender, education level, smoking, physical activity, energy intake and C-reactive protein, BMI was statistically associated with missing teeth, PD and PI, but not with CAL, GI or periodontitis. After additional adjustment for high-carbohydrate diet and plasma insulin or HOMA (homeostasis model assessment) index for insulin resistance, the statistical relationship between BMI and oral variables remained significant only for PD and PI. Conclusions: Plaque index, reflecting dental plaque, and PD, closely linked with periodontal inflammation and infection, are statistically associated with high BMI and obesity, independently of dietary patterns and insulin resistance.”
“Background: Human cerebral spinal fluid (CSF) is known to be a rich source of small molecule biomarkers for neurological and neurodegenerative diseases.

Method: We examined 33 charts for patients with the primary psych

Method: We examined 33 charts for patients with the primary psychiatric diagnosis of an eating disorder and comorbid major depressive disorder or bipolar disorder who underwent a quantitative EEG database assessment to provide additional information for choices of medication. The current analysis includes data from 22 subjects who accepted treatments based on information from the referenced-EEG medication database. R406 inhibitor Hamilton Depression Rating Scale, Clinical Global Impression-Severity, Clinical Global Impression-Improvement, and hospitalization data were examined for these patients.

Results: Patients whose EEG data was used for clinical treatment reported significant decreases

in associated depressive symptoms (HDRS scores), overall severity of

illness (Clinical Global Impression-Severity), and overall clinical global improvement (Clinical Global Impression-Improvement). This cohort also reported fewer inpatient, residential, and partial hospitalization program days following referenced-EEG compared with the two-year period prior to treatment.

Conclusion: These findings are consistent with previously reported data for patients with eating disorders and suggest the need for future studies using EEG data correlated with those from other patients with similar quantitative EEG features.”
“Objective: The optimal duration of compression therapy following varicose CA4P vein surgery of the great saphenous vein (GSV) remains controversial. Therefore, the aim of this study was to evaluate different durations of compression therapy after varicose vein surgery and their outcomes.

Design: A systematic review and meta-analysis of randomized controlled trials

(RCTs).

Methods: Outcomes from short-duration (3-10 d) and long-duration (3-6 wk) CYT387 purchase compression therapy after GSV stripping and phlebectomies were evaluated. Pain was assessed post surgery using a visual analog scale. Secondary outcomes included leg volume, complications, and the duration of absenteeism from work.

Results: We identified 4 RCTs published between 1991 and 2009 that evaluated 686 patients. We observed nonsignificant differences in postoperative pain scores between the long-duration and short-duration groups, with a weighted mean difference of -0.03 (95% confidence interval (Cl): -0.53 to 0.47) at 4 weeks, and -0.01 (95% Cl: -0.31 to 0.33) at 6 weeks, postoperatively. We also observed non-significant differences in the incidence of postoperative complications (risk ratio: 0.84, 95% Cl: 0.60-1.18), and changes in leg volume, 4 weeks postoperatively (P = .18) between the groups.

Conclusion: Our study results indicate that there are no benefits to long-term compression therapy after varicose vein surgery of the GSV regarding postoperative pain, leg volume, incidence of complications, and duration of absenteeism from work. (C) 2013 European Society for Vascular Surgery. Published by Elsevier Ltd. All rights reserved.


“This review summarises the literature on quality of life


“This review summarises the literature on quality of life (QOL) assessments in both children and adults with functional constipation. Studies of adults with constipation

include subjects from both tertiary care centres and population-based surveys whereas there are no population-based studies in children. The preponderance of evidence indicates that the adverse effects of chronic constipation on QOL in both children and adults are comparable to that seen in other chronic gastrointestinal and non-gastrointestinal disorders. There are no data on the effect of treatment of children with constipation with regard to QOL whereas several studies indicate that successful treatment of constipation in adults has a favourable effect on QOL. The emerging concept in the treatment MLN8237 of chronic constipation is to measure both objective measures such as frequency and ease of defecation and subjective Epigenetic inhibitor cell line parameters such as QOL. (C) 2011 Elsevier Ltd. All rights reserved.”
“Background: Artemisinin-based combination therapy, currently considered the therapy of choice for uncomplicated Plasmodium falciparum malaria in endemic countries, may be under threat from newly emerging parasite resistance to the artemisinin

family of drugs. Studies in Southeast Asia suggest some patients exhibit an extended parasite clearance time in the three days immediately following treatment with artesunate monotherapy. This phenotype is likely to become a more important trial endpoint in studies of anti-malarial drug efficacy, but currently requires frequent, closely spaced blood sampling in hospitalized study participants, followed by quantitation of parasite density by microscopy.

Methods: A simple duplex quantitative PCR

method was developed in which distinct fluorescent signals are generated from the human and parasite DNA components in each blood sample. The human amplification target in this assay is the beta tubulin gene, and the parasite target is the unique methionine tRNA gene (pgmet), which exhibits perfect sequence identity in all six Plasmodium species that naturally infect humans. In a small series of malaria cases treated as hospital in-patients, the abundance of pgmet DNA was estimated relative to the human DNA target in daily peripheral blood samples, and parasite clearance times calculated.

Results: The qPCR assay was reproducibly able to learn more replicate parasite density estimates derived from microscopy, but provided additional data by quantification of parasite density 24 hours after the last positive blood film. Robust estimates of parasite clearance times were produced for a series of patients with clinical malaria.

Conclusions: Large studies, particularly in Africa where children represent a major proportion of treated cases, will require a simpler blood sample collection regime, and a method capable of high throughput. The duplex qPCR method tested may fulfil these criteria, and should now be evaluated in such field studies.

Some of the bladder outlet afferents may be shared with the anal

Some of the bladder outlet afferents may be shared with the anal sphincter. Dysfunction of the outlet leads to conditions such as retrograde ejaculation, Fowler’s syndrome, and detrusor sphincter dyssynergia. Urethral relaxation

during urine storage may lead to urinary urgency, which may be misleadingly labeled as overactive bladder. Research priorities are numerous, including; peripheral cellular integrative physiology, interactions with other pelvic organs, interconnectivity of the CNS centers at all levels of the neuraxis, and standardized animal models of outlet functions such as reflex-driven voiding. HDAC inhibitor Neurourol. Urodynam 30:708-713, 2011. (C) 2011 Wiley-Liss, Inc.”
“The present study evaluated the involvement of the dorsal hippocampal cannabinoid CB1 receptors in the combined effect of ethanol and nicotine on passive avoidance learning in adult male mice. The results indicated that pre-training administration of ethanol (1g/kg, i.p.) impaired memory retrieval. Pre-test administration of ethanol (0.5 and 1g/kg, i.p.) or nicotine (0.5 and 0.7mg/kg, s.c.) significantly reversed ethanol-induced amnesia, suggesting a functional interaction between ethanol and nicotine. Pre-test

microinjection of a selective CB1 receptor agonist, ACPA (3 and 5ng/mouse), plus an ineffective dose of ethanol (0.25g/kg) or nicotine (0.3mg/kg) improved memory retrieval, while ACPA by itself could not reverse ethanol-induced amnesia. Pre-test intra-CA1 microinjection of

a selective CB1 receptor antagonist, AM251 (0.52ng/mouse), did not lead to a significant PF-00299804 supplier change in ethanol-induced amnesia. However, pre-test intra-CA1 microinjection of AM251 prevented the ethanol (1g/kg) or nicotine (0.7mg/kg) response on ethanol-induced amnesia. In order to support the involvement of the dorsal hippocampal CB1 receptors in nicotine response, the scheduled mixed treatments of AM251 (0.11ng/mouse), ACPA (5ng/mouse) and nicotine (0.3mg/kg) were used. The results indicated that AM251 reversed the response of ACPA to the interactive effects of nicotine and ethanol in passive avoidance learning. Furthermore, pre-test intra-CA1 microinjection of the same doses of ACPA or AM251 had no effect on memory retrieval. These findings show that the cannabinoid CB1 receptors BMS-777607 solubility dmso of dorsal hippocampus are important in the combined effect of ethanol and nicotine on passive avoidance learning.”
“Background: Placement of prophylactic inferior vena cava filters (pIVCFs) for the prevention of pulmonary embolism (PE) in high-risk trauma patients (HRTPs) are widely practiced despite the lack of Level I data supporting this use. We report the 2-year interim analysis of the Filters in Trauma pilot study.

Methods: This is a single institution, prospective randomized controlled pilot feasibility study in a Level I trauma center.

The questionnaire was completed by 103 subjects The COMI-neck su

The questionnaire was completed by 103 subjects. The COMI-neck summary score displayed no relevant floor or ceiling effects. Test-retest reliability was excellent (ICC = 0.87). With one exception (symptom-specific well-being),

the individual COMI items and the COMI summary score correlated to the expected extent with the scores of the reference questionnaires (r = 0.40-0.80). The mean change scores for the Italian COMI-neck differed significantly between patients with a good global outcome and those with a poor outcome (p = 0.002); SRM for the good outcome group was 1.23, and for the poor outcome group 0.40. ROC analysis revealed an area under the curve of 0.73 (95 % CI: 0.62-0.85).

This study provides evidence that the Italian version of the COMI-neck is a valid and responsive questionnaire in the population of patients examined. Its use is recommended AG-881 for learn more clinical and research purposes.”
“Background: Oxidative stress contributes to cardiovascular diseases in peritoneal dialysis (PD) patients. Glutathione S-transferase M1 is an antioxidative enzyme encoded by the GST M1 gene. The GST M1 (-) genotype causes deficiency of the enzyme when compared with the GST M1 (+) genotype. We investigated the effects of the GST M1 (-)/(+) polymorphism

on the clinical outcomes of Chinese PD patients.

Methods: We studied 441 new PD patients (232 men, age 56.6

+/- 13.5 years). GST M1 (-)/(+) polymorphism was determined by multiplex polymerase chain reaction. The patients were followed for 41.4 +/- 18.2 months.

Results: The GST M1 polymorphism was not associated with 5-year patient and technique survival in the whole cohort. However, there were significant interactions between age group and the GST M1 polymorphism on 5-year patient survival (p=0.046) and technique survival (p=0.049). Post hoc analysis SU5402 Protein Tyrosine Kinase inhibitor showed that for patients >= 70 years old, those with the GST M1 (+) genotype had significantly better 5-year patient survival (62.5% vs. 26.2%; log rank test, p=0.012) and technique survival (55.1% vs. 21.9%; log rank test, p=0.024) than the GST M1 (-) group. For patients younger than 70 years, the GST M1 polymorphism did not affect 5-year patient or technique survival.

Conclusion: The GST M1 (+) genotype is associated with better survival in elderly PD patients, who may have heavy oxidative stress as a result of the aging and PD processes.”
“Objectives: Recent confirmatory factor analysis (CFA) of the Functional Assessment of Chronic Illness Therapy Spiritual Well-Being (FACIT-Sp) Scale in a sample of predominantly white women demonstrated that three factors, Meaning, Peace, and Faith, represented a psychometric improvement over the original 2-factor model.

(C) 2013 Elsevier B V All rights reserved “
“Objective: To

(C) 2013 Elsevier B.V. All rights reserved.”
“Objective: To examine the external validity of the United Kingdom English version of the LittlEARS (R) Auditory Questionnaire with English-speaking families of Canadian children with normal hearing.

Methods: The United Kingdom English version of the LittlEARS was administered to English-speaking families of 130 children with normal hearing in Ontario, Canada. Total scores for these children were compared to German-derived normative values.

Results: There was no significant difference between Canadian and German norms when

using the United Kingdom English version of the LittlEARS Auditory Questionnaire.

Conclusions: The United Kingdom English version of Screening Library mw the LittlEARS Auditory Questionnaire is appropriate for use with English-speaking families of normal hearing Canadian children. (C) 2011 Elsevier Ireland Ltd. All rights reserved.”
“Objectives: To evaluate the comparability of the test outcome or the acceptability of the outcome bias regarding the 2 modes of click here sample aspiration offered by the Olympus AU2700 automatic biochemical analyzer and to determine whether calibration and internal quality control are required when using the sample aspiration mode for a statistics (STAT) table.

Methods: Per the procedures outlined in the National Committee for Clinical Laboratory Standards EP9-A2 protocol,

16 tests were performed for analytes such as alanine aminotransferase, total protein, and urea to evaluate and compare the outcome bias between the mode used with racks and that used with the STAT table. Forty serologic samples were tested.

Results: Among the results of the 16 tests, almost all levels of selleck chemicals outcome bias were acceptable. The sole exception was that regarding the TG test, in which system error reached 6.89%; this amount exceeds the 6.25% allowable percentage of error at lower concentrations.

Conclusion: Based on these data, we conclude that calibration and internal quality control are unnecessary when using the sample aspiration

mode of the STAT table.”
“OBJECTIVES: Opportunities to treat multifocal lung cancers, mostly adenocarcinoma, are increasing due to the development of imaging technologies. The optimal therapy modality to treat multifocally growing lung cancers remains obscure. To determine the features of multifocal lung cancers, we retrospectively reviewed patients with multiple lung lesions.

METHODS: Clinical, pathological and genetic characteristics of 31 patients with multifocal lesions were compared with those of patients who had had radical lung resection for solitary lung cancer. Gene mutation analyses for EGFR, KRAS and P53 were performed on three tumours of each of the patients who had four or more lesions.

RESULTS: Of the 31 patients, 17 had double tumours, 4 had triple tumours and 10 had 4 or more lesions. Patients with four or more lesions were significantly more likely to be females and never smokers.

By contrast, polyclonal antisera raised to individual recombinant

By contrast, polyclonal antisera raised to individual recombinant fragments rMSP4A, rMSP4B, rMSP4C and rMSP4D gave negligible inhibition. Similarly, murine Mabs alone or in combination did not inhibit parasite growth.

Conclusions: The panel of MSP4-specific Mabs produced were found to recognize six distinct epitopes that are also targeted by human antibodies during natural malaria infection. Antibodies directed to more than three epitope regions spread across MSP4

are likely to be required for P. falciparum growth inhibition in vitro.”
“The objective of this qualitative study was to examine how patients with nonepileptic seizures (NES) make sense of their illness experience in light of the many obstacles they may face when seeking treatment. We conducted semistructured interviews www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html with

five patients with NES to explore their illness perspectives and different modes of reasoning in regard to their illness 5-Fluoracil mw and treatment experiences. The data were examined using thematic content analysis. The participants who implicitly incorporated epilepsy as an illness prototype demonstrated less effective treatment expectations and imposed greater life constraints on themselves than the participant who used anxiety attacks. The participants who defined an explanatory model with a psychosocial basis for illness onset were receptive and demanding of psychotherapeutic intervention. Emergent themes included accounts of adverse and positively perceived life events coinciding LB-100 with illness onset, head injury, presence of caregivers during events, comorbid illness, and previously witnessing epilepsy in others. (C) 2010 Published

by Elsevier Inc.”
“Preliminary investigations of our research team have shown that some pyrrole hydrazones posses strong inhibitory activity against the tuberculosis bacilli, and thus represent a new perspective for development of anti-tuberculosis agents.

In this work the anti-tuberculosis activity of an in-house series of pyrrole hydrazones was investigated by quantitative structure-activity relationships (QSAR) analysis and by pharmacophore modelling. Different constitutional, topological, physicochemical, and quantum-mechanical descriptors of the chemical structure were calculated. The QSAR models included the number of chlorine, fluorine and nitrogen atoms, molecular flexibility and shape indexes, and magnitudes of charged molecular surfaces areas and hydrophobic volumes, suggesting importance of these structural characteristics for the activity. Next, a pharmacophore analysis was applied. A possible pharmacophore responsible for the compound interactions with their biological target in the 3D space consisted of five features, including hydrophobic centres, a potential H-bond acceptor and a potential metal ligator.