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4 beta-Hydroxywithanolide E

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PMID

31523469

Abstract

The title compound, C14H15BrClNO4, consists of a 5-bromo­indoline-2,3-dione unit linked to a 1-{2-[2-(2-chloro­eth­oxy)eth­oxy]eth­yl} moiety. In the crystal, a series of C?H?O hydrogen bonds link the molecules to form a supramolecular three-dimensional structure, enclosing R 2 2(8), R 2 2(12), R 2 2(18) and R 2 2(22) ring motifs. π-π contacts between the five-membered dione rings may further stabilize the structure, with a centroid-centroid distance of 3.899?(2)?a. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H?H (28.1%), H?O/O?H (23.5%), H?Br/Br?H (13.8%), H?Cl/Cl?H (13.0%) and H?C/C?H (10.2%) inter­actions. Hydrogen bonding and van der Waals inter­actions are the dominant inter­actions in the crystal packing. Density functional theory (DFT) optimized structures at the B3LYP/6-311G(d,p) level are compared with the experimentally determined mol­ecular structure in the solid state. The HOMO?LUMO behaviour was elucidated to determine the energy gap. The chloro­eth­oxy­ethoxyethyl side chain atoms are disordered over two sets of sites with an occupancy ratio of 0.665?(8):0.335?(6).

KEYWORDS

crystal structure, bromo­indoline, dione, π-stacking, DFT, Hirshfeld surface

Title

Crystal structure, Hirshfeld surface analysis and DFT studies of 5-bromo-1-{2-[2-(2-chloro­eth­oxy)eth­oxy]eth­yl}indoline-2,3-dione

Author

Omar Abdellaoui,a,* Tuncer Hokelek,b Frederic Capet,c Catherine Renard,c Amal Haoudi,a Mohamed Khalid Skalli,a and Youssef Kandri Rodia

Publish date

2019 Sep 1;

PMID

31916887

Abstract

Purpose: Previous phases of trachoma mapping in Pakistan completed baseline surveys in 38 districts. To help guide national trachoma elimination planning, we set out to estimate trachoma prevalence in 43 suspected-endemic evaluation units (EUs) of 15 further districts.

Methods: We planned a population-based trachoma prevalence survey in each EU. Two-stage cluster sampling was employed, using the systems and approaches of the Global Trachoma Mapping Project. In each EU, residents aged ≥1 year living in 30 households in each of 26 villages were invited to be examined by trained, certified trachoma graders. Questionnaires and direct observation were used to evaluate household-level access to water and sanitation.

Results: One EU was not completed due to insecurity. Of the remaining 42, three EUs had trichiasis prevalence estimates in ≥15-year-olds ≥0.2%, and six (different) EUs had prevalence estimates of trachomatous inflammation?follicular (TF) in 1-9-year-olds ≥5%; each EU requires trichiasis and TF prevalence estimates below these thresholds to achieve elimination of trachoma as a public health problem. All six EUs with TF prevalences ≥5% were in Khyber Pakhtunkhwa Province. Household-level access to improved sanitation ranged by EU from 6% to 100%. Household-level access to an improved source of water for face and hand washing ranged by EU from 37% to 100%.

Conclusion: Trachoma was a public health problem in 21% (9/42) of the EUs. Because the current outbreak of extremely drug-resistant typhoid in Pakistan limits domestic use of azithromycin mass drug administration, other interventions against active trachoma should be considered here.

KEYWORDS

Pakistan, trachoma, trichiasis, Global Trachoma Mapping Project, water, sanitation

Title

Prevalence of Trachoma in Pakistan: Results of 42 Population-Based Prevalence Surveys from the Global Trachoma Mapping Project

Author

Asad Aslam Khan,a,b,c Victor V. Florea,d Arif Hussain,b Zahid Jadoon,e Sophie Boisson,f Rebecca Willis,g Michael Dejene,h Ana Bakhtiari,g Caleb Mpyet,i,j,k Alexandre L. Pavluck,g Munazza Gillani,l Babar Qureshi,m,n and Anthony W. Solomond,o,p*, for the Global Trachoma Mapping Project

Publish date

2020;

PMID

30114214

Abstract

Although classified as an African taurine breed, the genomes of Sheko cattle are an admixture of Asian zebu and African taurine ancestries. They populate the humid Bench Maji zone in Sheko and Bench districts in the south-western part of Ethiopia and are considered as a trypanotolerant breed with high potential for dairy production. Here, we investigate the genome of Sheko cattle for candidate signatures of adaptive introgression and positive selection using medium density genome-wide SNP data. Following locus-ancestry deviation analysis, 15 and 72 genome regions show substantial excess and deficiency in Asian zebu ancestry, respectively. Nine and 23 regions show candidate signatures of positive selection following extended haplotype homozygosity (EHH)-based analyses (iHS and Rsb), respectively. The results support natural selection before admixture for one iHS, one Rsb and three zebu ancestry-deficient regions. Genes and/or QTL associated with bovine immunity, fertility, heat tolerance, trypanotolerance and lactation are present within candidate selected regions. The identification of candidate regions under selection in Sheko cattle warrants further investigation of a larger sample size using full genome sequence data to better characterise the underlying haplotypes. The results can then support informative genomic breeding programmes to sustainably enhance livestock productivity in East African trypanosomosis infested areas.

Title

Genomic signatures of adaptive introgression and environmental adaptation in the Sheko cattle of southwest Ethiopia

Author

Hussain Bahbahani, Conceptualization, Formal analysis, Methodology, Project administration, Supervision, Writing - original draft, Writing - review & editing,1,* Arwa Afana, Investigation,1 and David Wragg, Methodology, Software, Writing - review & editing2

Publish date

2018;