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1.
J Virol Methods ; 329: 114991, 2024 Jun 26.
Article in English | MEDLINE | ID: mdl-38942174

ABSTRACT

The most widely used invitro diagnostic qualitative screening method for dengue virus infection is the lateral flow immunoassay technique. Testing of dengue non-structural antigen NS1 offers specificity in determining the active infection while testing of IgM and IgG helps in differentiating the primary and secondary dengue infections. The ELISA functions as the golden standard for dengue testing and PCR credits for the most accurate determination tool at the genetic level. The RT-PCR endorsed NS1 gene and in ELISA or LFIA NS1 antigen is used as the marker owing to the specificity and lesser chances of mutation effects. This study evaluated the performance of AG-Q Dengue NS1 LFIA kit in comparison with RT-PCR quantification cycle (Cq) Values and ELISA NS1 quantitation. The study also focused on differentiating the samples among dengue serotypes using the RealStar Dengue Type RT-PCR Kit 1.0. Dengue serotype 2 is the prominent viral strain in Kerala region succeeded by serotype 3 and 1 with a prevalence rate of 64 %, 20 % and 6 % respectively. Dengue serotype 4 was not reported during this study period. 10 % co-infection with DENV 1 & DENV 2 was also reported. The AG-Q Dengue NS1 kit stood as efficient in screening by providing positive results with samples having RT-PCR Cq values up to 43 and ELISA NS1 quantification minimum of 14 Panbio units.

2.
Environ Technol ; 45(10): 2067-2075, 2024 Apr.
Article in English | MEDLINE | ID: mdl-36591897

ABSTRACT

In the present study, both acidic and alkaline hydrolysate of pineapple waste was utilised for the production of biohydrogen using locally isolated bacterial strains. The bacteria were isolated from different wastewater sources and were identified as Proteus mirabilis, Pseudomonas aeruginosa, Bacillus altitudinus, Bacillus subtilis, Paenibacillus alvei, and Lysinibacillus sphaericus. Experimental results showed that the highest biohydrogen yield of 836.33 ± 48.02 mL H2 was produced from alkaline hydrolysate with Bacillus altitudinis during the 96thhr of fermentation. Among the different bacterial strains, B. altitudinis showed higher H2 production. Comparatively alkaline hydrolysates exhibited a higher yield of hydrogen than acidic hydrolysates. The final pH of the experiment was found to be in acidic range. The total VFA concentration ranged between 930 ± 207.85 mg/L to 3050 ± 476.97 mg/L. Both sugar degradation and COD reduction were more than 80% in the acidic and alkaline hydrolysates while the lowest sugar degradation and COD reduction were observed for the untreated biomass. The rationale behind this study was to convert the waste biomass into energy by utilising the potential of native bacterial communities.


Subject(s)
Ananas , Wastewater , Fermentation , Ananas/metabolism , Fruit/chemistry , Fruit/metabolism , Bacteria/metabolism , Sugars , Hydrogen/analysis , Hydrogen/metabolism
3.
Article in English | MEDLINE | ID: mdl-38083534

ABSTRACT

Stroke is a leading cause of permanent disability worldwide. Even after adequate treatment, the majority of patients do not recover fully, making them dependent on others for carrying out Activities of Daily Living (ADL). An improved understanding of the underlying mechanism of plasticity will help us in customizing the translational approach for learning and rehabilitation following a stroke. For this study, a 2-minute resting state EEG data were recorded at 5 time-points for 3-months after stroke onset. Directed Transfer Function (DTF) was used to study neural reorganization for 3 months. DTF for different brain regions and sub-bands was correlated with FMA. The information flow was studied for different brain regions as well as Affected Region (AR). Occipital region showed good correlation (r = 0.45 to 0.47) with FMA. Contra-lesional and ipsi-lesional regions trajectories complement each other during acute and sub-acute phase. The information outflow vs inflow imbalance of AR was restored by the end of 3 months. DTF can be used as biomarker for studying neuroplasticity. Occipital, temporal and motor cortex regions play an important role during neuro-rehabilitation. The information about different regions during rehabilitation will help us in designing subject-specific interventions for better recovery.


Subject(s)
Stroke Rehabilitation , Stroke , Humans , Activities of Daily Living , Recovery of Function , Electroencephalography
4.
Indian J Clin Biochem ; 38(1): 51-58, 2023 Jan.
Article in English | MEDLINE | ID: mdl-35465605

ABSTRACT

The vaccination efficacy can indirectly be assessed through the quantification of neutralizing antibodies. Very few data are available on Covishield efficacy in terms of neutralizing antibody expression upon vaccination. This study is focused on profiling of neutralizing antibody expression during and after the Covishield two shot vaccination and observing COVID-19 infection in vaccinated participants during the period. SARS CoV-2 neutralizing antibody concentrations in samples were estimated using electrochemiluminescence immunoassay kit for Lifotronics eCL8000. The sampling had been done sequentially at 45th, 85th day after 1st dose and 15th day after 2nd dose Covishield vaccination. Parallelly, in order to confirm the total SARS CoV-2 IgG response in COVID-19 infection, measured the IgG using SARS CoV-2 IgG lateral flow immunoassay test kit. The subjects previously infected with COVID-19 before 1st dose vaccination demonstrated high neutralizing antibody (> 10AU/ml). In COVID-19 uninfected subjects, there was a sudden incline in neutralizing antibody after the 2nd dose. Infection with SARS CoV-2 between 1st and 2nd dose of Covishield vaccination implicate that the level of neutralizing antibody in serum after 1st dose was not adequate to combat the virus and prevent infection. We observed COVID-19 infection in participants even after 2nd dose of vaccination. Interestingly, there was no protection against SARS CoV-2 even with a high neutralizing antibody expression of 188.5 AU/mL after the 2nd dose. Findings of Covishield efficacy in different cohort samples before and after 2 doses of Covishield vaccination provide impetus for improvement or development of next generation vaccines.

5.
J Maxillofac Oral Surg ; 21(1): 51-57, 2022 Mar.
Article in English | MEDLINE | ID: mdl-35400907

ABSTRACT

Purpose: The aim of this study was to elucidate the efficiency of BTX-A injections as an alternative approach in patients with excessive gingival display and to observe the patient's satisfaction in order to obtain cosmetically promising results. Materials and Methods: Fifteen patients of whom ten female and five male with different types of gummy smiles such as anterior (53%), posterior (7%) and mixed (40%) reported to the Department of Oral and Maxillofacial Surgery at Thai Moogambigai Dental College and Hospital, Chennai, Tamil Nadu from December 2018 to October 2019 those who were willing to undergo corrections using Botulinum Toxin Type A (BTX-A) were selected for the present study using various inclusion and exclusion criteria. The patients were injected with BTX-A on Yonsei triangle accordingly. The clinical evaluation and patient satisfaction evaluation were carried out. Results: A significant decrease in the gingival exposure of about 3.5 ± 1 mm at 2 weeks after injection was observed and it lasted for 4 months. It was also noted that there was no difference in the measurement of gingival display on maximum smile for postinjection during 5th and 6th month when compared with preinjection measurements. This study confirms that the efficacy of BTX A injection lasted for 4 months and then gradually reduced resulting in reversal of gingival display during maximum smile. Conclusion: The authors conclude that in the cosmetic correction of gummy smile by BTX-A, it is important to identify the type of smile and the main muscles involved, so that the correct injection technique can be used. It also confirms that BTX-A is a novel, competent, risk-free and minimally invasive nonsurgical therapy that can extensively improve smile aesthetics.

6.
Annu Int Conf IEEE Eng Med Biol Soc ; 2021: 6251-6254, 2021 11.
Article in English | MEDLINE | ID: mdl-34892542

ABSTRACT

Post-stroke monitoring is a crucial step for properly studying the progress of stroke patients. The rehabilitation process consists of exercise regimes that help in constantly engaging the affected part of the brain leading to faster recovery. The work here studies the effectiveness of the rehabilitation regime by investigating several parameters that can play important role in observing the immediate effect of the exercises. Various parameters from different wavelet coefficients were extracted for monitoring rehabilitation for up to 90 days. Energy and waveform length show maximum variation when monitoring pre and post-exercise changes. The parameters were correlated with clinical(FMA) score. Centroid Index gave high correlation value for beta band (r = -0.559). Alpha band on the other hand showed a good correlation with all the extracted fe atures, maximum being -0.6988 with energy. So for monitoring post-stroke rehabilitation alpha and beta bands should be focused. Region-specific analyses were also done to monitor changes in different parts of the brain.


Subject(s)
Stroke Rehabilitation , Stroke , Electroencephalography , Exercise Therapy , Humans , Upper Extremity
7.
J Phys Condens Matter ; 33(38)2021 Jul 21.
Article in English | MEDLINE | ID: mdl-34161942

ABSTRACT

Quantum control of large spin registers is crucial for many applications ranging from spectroscopy to quantum information. A key factor that determines the efficiency of a register for implementing a given information processing task is its network topology. One particular type, called star-topology, involves a central qubit uniformly interacting with a set of ancillary qubits. A particular advantage of the star-topology quantum registers is in the efficient preparation of large entangled states, called NOON states, and their generalized variants. Thanks to the robust generation of such correlated states, spectral simplicity, ease of polarization transfer from ancillary qubits to the central qubit, as well as the availability of large spin-clusters, the star-topology registers have been utilized for several interesting applications over the last few years. Here we review some recent progress with the star-topology registers, particularly via nuclear magnetic resonance methods.

8.
BJOG ; 128(9): 1534-1545, 2021 08.
Article in English | MEDLINE | ID: mdl-33969614

ABSTRACT

OBJECTIVE: To assess the cost-effectiveness of mifepristone and misoprostol (MifeMiso) compared with misoprostol only for the medical management of a missed miscarriage. DESIGN: Within-trial economic evaluation and model-based analysis to set the findings in the context of the wider economic evidence for a range of comparators. Incremental costs and outcomes were calculated using nonparametric bootstrapping and reported using cost-effectiveness acceptability curves. Analyses were performed from the perspective of the UK's National Health Service (NHS). SETTING: Twenty-eight UK NHS early pregnancy units. SAMPLE: A cohort of 711 women aged 16-39 years with ultrasound evidence of a missed miscarriage. METHODS: Treatment with mifepristone and misoprostol or with matched placebo and misoprostol tablets. MAIN OUTCOME MEASURES: Cost per additional successfully managed miscarriage and quality-adjusted life years (QALYs). RESULTS: For the within-trial analysis, MifeMiso intervention resulted in an absolute effect difference of 6.6% (95% CI 0.7-12.5%) per successfully managed miscarriage and a QALYs difference of 0.04% (95% CI -0.01 to 0.1%). The average cost per successfully managed miscarriage was lower in the MifeMiso arm than in the placebo and misoprostol arm, with a cost saving of £182 (95% CI £26-£338). Hence, the MifeMiso intervention dominated the use of misoprostol alone. The model-based analysis showed that the MifeMiso intervention is preferable, compared with expectant management, and this is the current medical management strategy. However, the model-based evidence suggests that the intervention is a less effective but less costly strategy than surgical management. CONCLUSIONS: The within-trial analysis found that based on cost-effectiveness grounds, the MifeMiso intervention is likely to be recommended by decision makers for the medical management of women presenting with a missed miscarriage. TWEETABLE ABSTRACT: The combination of mifepristone and misoprostol is more effective and less costly than misoprostol alone for the management of missed miscarriages.


Subject(s)
Abortifacient Agents/administration & dosage , Abortion, Missed/drug therapy , Mifepristone/administration & dosage , Misoprostol/administration & dosage , Abortifacient Agents/economics , Abortion, Missed/economics , Adolescent , Adult , Cost-Benefit Analysis , Double-Blind Method , Drug Therapy, Combination , Female , Humans , Mifepristone/economics , Misoprostol/economics , Pregnancy , Young Adult
9.
Environ Res ; 198: 111275, 2021 07.
Article in English | MEDLINE | ID: mdl-33989629

ABSTRACT

Rice (Oryza sativa) is a principal cereal crop in the world. It is consumed by greater than half of the world's population as a staple food for energy source. The yield production quantity and quality of the rice grain is affecting by abiotic and biotic factors such as precipitation, soil fertility, temperature, pests, bacteria, virus, etc. For disease management, farmers spending lot of time and resources and they detect the diseases through their penniless naked eye approach which leads to unhealthy farming. The advancement of technical support in agriculture greatly assists for automatic identification of infectious organisms in the rice plants leaves. The convolutional neural network algorithm (CNN) is one of the algorithms in deep learning has been triumphantly invoked for solving computer vision problems like image classification, object segmentation, image analysis, etc. In our work, InceptionResNetV2 is a type of CNN model utilized with transfer learning approach for recognizing diseases in rice leaf images. The parameters of the proposed model is optimized for the classification task and obtained a good accuracy of 95.67%.


Subject(s)
Deep Learning , Oryza , Algorithms , Image Processing, Computer-Assisted , Neural Networks, Computer , Plant Leaves
10.
Bioorg Chem ; 108: 104586, 2021 03.
Article in English | MEDLINE | ID: mdl-33607574

ABSTRACT

The vital role played by microtubules in the cell division process, marks them as a potential druggable target to decimate cancer. A novel furan-2-carboxamide based small molecule, is a selective microtubule stabilizing agent (MSA) with IC50 ranging from 4 µM to 8 µM in different cancer cell lines. Inhibition of tubulin polymerization or stabilization of tubulin polymers abrogates chromosomal segregation during cell division, results in cell cycle arrest and leads to cell death due to the delayed repair mechanism. A novel furan-2-carboxamide based small molecule exhibited potent anti-proliferative and anti-metastatic property In-Vitro against the panel of cancer cells. Annexin V-FITC/PI, double staining reveals potent cytotoxic effect of SH09 against HeLa cells. FACS analysis displays induction of G2/M arrest and accumulation of subG1 population of cells upon treatment with SH09. Molecular docking study unveils SH09 binding affinity to the Taxol binding pocket of tubulin proteins and MM-GBSA also confirms strong binding energies of SH09 with tubulin proteins.


Subject(s)
Antineoplastic Agents/pharmacology , Apoptosis/drug effects , Furans/pharmacology , Microtubules/drug effects , Antineoplastic Agents/chemical synthesis , Antineoplastic Agents/chemistry , Cell Proliferation/drug effects , Dose-Response Relationship, Drug , Drug Screening Assays, Antitumor , Furans/chemical synthesis , Furans/chemistry , Humans , Mitosis/drug effects , Molecular Structure , Structure-Activity Relationship , Tumor Cells, Cultured
11.
Mar Pollut Bull ; 153: 110946, 2020 Apr.
Article in English | MEDLINE | ID: mdl-32063546

ABSTRACT

Core sediment samples were collected from five mangrove ecosystems along northern Kerala coast (Kunjimangalam: S1, Pazhayangadi: S2, Pappinissery: S3, Thalassery: S4, and Kadalundi: S5) to assess the status of heavy metal pollution. S1 recorded comparatively lower metal concentration at surface (except Pb) due to low organic content and sandy texture, while the reverse was true for S3. Higher metal contents were recorded at S5 (0-5 cm), which was attributed to its unique biogeochemical behavior. Enrichment factor and geoaccumulation index indicated moderate enrichment for Cd, and the pollution load index revealed progressive deterioration of sediment quality at S5 (0-5 cm). There was no harmful effect of trace metals on biological community (except Ni) according to Sediment Quality Guidelines. Major processes controlling trace metal accumulation in these systems are diagenetic processes, precipitation of heavy metals as sulfides, and the presence of Fe, Mn-oxy hydroxides, which act as adsorption sites for other metals.


Subject(s)
Environmental Monitoring , Metals, Heavy , Water Pollutants, Chemical , Ecosystem , Geologic Sediments/chemistry , India
12.
Kathmandu Univ Med J (KUMJ) ; 18(72): 434-436, 2020.
Article in English | MEDLINE | ID: mdl-34165108

ABSTRACT

Basal Cell Adenoma (BCA) known as monomorphic adenoma is a rare type of benign epithelial salivary neoplasm that mostly occurs in the parotid gland. Clinically BCA appears as a firm, mobile, slow-growing mass and is usually diagnosed during the histopathological examination of the resected surgical specimen. Histological differential diagnosis ranges from benign to malignant neoplasms such as pleomorphic adenoma, basal cell adenocarcinoma, adenoid cystic carcinoma and basaloid squamous cell carcinoma. The treatment of BCA is surgical excision, due to its varied prognosis with the different histological subtypes; a regular long term follow up of the patient postoperatively is mandatory. We report a rare and interesting case of basal cell adenoma of the parotid gland in a 52 year old female. We review the literature; discuss the diagnosis and management of this rare histological entity.


Subject(s)
Adenoma, Pleomorphic , Adenoma , Carcinoma, Adenoid Cystic , Parotid Neoplasms , Adenoma/diagnosis , Adenoma/surgery , Adenoma, Pleomorphic/diagnosis , Adenoma, Pleomorphic/surgery , Female , Humans , Middle Aged , Parotid Gland , Parotid Neoplasms/diagnosis , Parotid Neoplasms/surgery
13.
Malays Orthop J ; 14(3): 16-21, 2020 Nov.
Article in English | MEDLINE | ID: mdl-33403058

ABSTRACT

By 2050, it is predicted that six million hip fractures will occur each year of which the majority will happen in Asia. Malaysia is not spared from this predicted rise and its rate of increase will be one of the highest in this region. Much of this is driven by our unprecedented growth in the number of older people. Characteristics of individuals with hip fractures in Malaysia mirror what has been reported in other countries. They will be older multimorbid people who were already at risk of falls and fractures. Outcomes were poor with at least a quarter do not survive beyond 12 months and in those that do survive have limitation in their mobility and activities of daily living. Reviewing how these fractures are managed and incorporating new models of care, such as orthogeriatric care, could address these poor outcomes. Experts have warned of the devastating impact of hip fracture in Malaysia and that prompt action is urgently required. Despite that, there remains no national agenda to highlight the need to improve musculoskeletal health in the country.

14.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 11): 1719-1723, 2019 Nov 01.
Article in English | MEDLINE | ID: mdl-31709096

ABSTRACT

The title com-pound, C15H11NO5, is relatively planar, with the planes of the two aromatic rings being inclined to each other by 3.09 (5)°. In the crystal, mol-ecules are linked by a pair of C-H⋯O hydrogen bonds, forming inversion dimers, which enclose an R 2 2(16) ring motif. The dimers are linked by a further pair of C-H⋯O hydrogen-bonds forming ribbons enclosing R 4 4(26) ring motifs. The ribbons are linked by offset π-π inter-actions [centroid-centroid distances = 3.6754 (6)-3.7519 (6) Å] to form layers parallel to the ac plane. Through Hirshfeld surface analyses, the d norm surfaces, electrostatic potential and two-dimensional fingerprint (FP) plots were examined to verify the contributions of the different inter-molecular contacts within the supra-molecular structure. The shape-index surface shows that two sides of the mol-ecule are involved with the same contacts in neighbouring mol-ecules, and the curvedness plot shows flat surface patches that are characteristic of planar stacking.

15.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 11): 1763-1767, 2019 Nov 01.
Article in English | MEDLINE | ID: mdl-31709105

ABSTRACT

2-(4-Nitro-phen-yl)-2-oxoethyl picolinate, C14H10N2O5, was synthesized under mild conditions. The chemical and mol-ecular structures were confirmed by single-crystal X-ray diffraction analysis. The mol-ecules are linked by inversion into centrosymmetric dimers via weak inter-molecular C-H⋯O inter-actions, forming R 2 2(10) ring motifs, and further strengthened by weak π-π inter-actions. Hirshfeld surface analyses, the d norm surfaces, electrostatic potential and two-dimensional fingerprint (FP) plots were used to verify the contributions of the different inter-molecular inter-actions within the supra-molecular structure. The shape-index surface shows that two sides of the mol-ecules are involved with the same contacts in neighbouring mol-ecules and curvedness plots show flat surface patches that are characteristic of planar stacking.

16.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 11): 1792-1796, 2019 Nov 01.
Article in English | MEDLINE | ID: mdl-31709110

ABSTRACT

The title compound, C15H10ClNO5, is relatively planar with the two aromatic rings being inclined to each other by 3.56 (11)°. The central -C(=O)-C-O-C(=O)- bridge is slightly twisted, with a C-C-O-C torsion angle of 164.95 (16)°. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯Cl hydrogen bonds, forming layers parallel to the (101) plane. The layers are linked by a further C-H⋯O hydrogen bond, forming a three-dimensional supra-molecular structure. There are a number of offset π-π inter-actions present between the layers [inter-centroid distances vary from 3.8264 (15) to 3.9775 (14) Å]. Hirshfeld surface analyses, the d norm surfaces, electrostatic potential and two-dimensional fingerprint plots were examined to verify the contributions of the different inter-molecular contacts within the supra-molecular structure. The shape-index surface shows that two sides of the mol-ecule are involved in the same contacts with neighbouring mol-ecules, and the curvedness plot shows flat surface patches that are characteristic of planar stacking.

17.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 7): 942-945, 2019 Jul 01.
Article in English | MEDLINE | ID: mdl-31392000

ABSTRACT

The mol-ecular structure of the title compound, C17H14ClFO3, consists of a 4-chloro-3-fluoro-phenyl ring and a 3,4-di-meth-oxy-phenyl ring linked via a prop-2-en-1-one spacer. The mol-ecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. The F and H atoms at the meta positions of the 4-chloro-3-fluoro-phenyl ring are disordered over two orientations, with an occupancy ratio of 0.785 (3):0.215 (3). In the crystal, mol-ecules are linked via pairs of C-H⋯O inter-actions with an R 2 2(14) ring motif, forming inversion dimers. The dimers are linked into a tape structure running along [10] by a C-H⋯π inter-action. The inter-molecular contacts in the crystal were further analysed using Hirshfield surface analysis, which indicates that the most significant contacts are H⋯H (25.0%), followed by C⋯H/H⋯C (20.6%), O⋯H/H⋯O (15.6%), Cl⋯H/H⋯Cl (10.7%), F⋯H/H⋯F (10.4%), F⋯C/C⋯F (7.2%) and C⋯C (3.0%).

18.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 2): 124-128, 2019 Feb 01.
Article in English | MEDLINE | ID: mdl-30800435

ABSTRACT

The mol-ecular structure of the title compound, C13H7Cl3OS, consists of a 2,5- di-chloro-thio-phene ring and a 2-chloro-phenyl ring linked via a prop-2-en-1-one spacer. The dihedral angle between the 2,5-di-chloro-thio-phene and 2-chloro-phenyl rings is 9.69 (12)°. The mol-ecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. The mol-ecular conformation is stabilized by two intra-molecular C-H⋯Cl contacts and one intra-molecular C-H⋯O contact, forming S(5)S(5)S(6) ring motifs. In the crystal, the mol-ecules are linked along the a-axis direction through van der Waals forces and along the b axis by face-to-face π-stacking between the thio-phene rings and between the benzene rings of neighbouring mol-ecules, forming corrugated sheets lying parallel to the bc plane. The inter-molecular inter-actions in the crystal packing were further analysed using Hirshfield surface analysis, which indicates that the most significant contacts are Cl⋯H/ H⋯Cl (28.6%), followed by C⋯H/H⋯C (11.9%), C⋯C (11.1%), H⋯H (11.0%), Cl⋯Cl (8.1%), O⋯H/H⋯O (8.0%) and S⋯H/H⋯S (6.6%).

19.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 2): 146-149, 2019 Feb 01.
Article in English | MEDLINE | ID: mdl-30800440

ABSTRACT

In the title compound, C15H10BrFO, the mol-ecular structure consists of a 3-bromo-phenyl ring and a 4-fluoro-phenyl ring linked via a prop-2-en-1-one spacer. The 3-bromophenyl and 4-fluorophenyl rings make a dihedral angle of 48.90 (15)°. The mol-ecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. In the crystal, mol-ecules are linked by C-H⋯π inter-actions between the bromo-phenyl and fluoro-phenyl rings of mol-ecules, resulting in a two-dimensional layered structure parallel to the ab plane. The mol-ecular packing is stabilized by weak Br⋯H and F⋯H contacts, one of which is on the one side of each layer, and the second is on the other. The inter-molecular inter-actions in the crystal packing were further analysed using Hirshfeld surface analysis, which indicates that the most significant contacts are Cl⋯H/H⋯Cl (20.8%), followed by C⋯H/H⋯C (31.1%), H⋯H (21.7%), Br⋯H/H⋯Br (14.2%), F⋯H/H⋯F (9.8%), O⋯H/H⋯O (9.7%).

20.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 2): 264-267, 2019 Feb 01.
Article in English | MEDLINE | ID: mdl-30800464

ABSTRACT

In the title chalcone derivative, C15H9BrCl2O, the aryl rings are inclined to each by 14.49 (17)°, and the configuration about the C=C bond is E. There is a short intra-molecular C-H⋯Cl contact present resulting in the formation of an S(6) ring motif. In the crystal, the shortest inter-molecular contacts are Cl⋯O contacts [3.173 (3) Å] that link the mol-ecules to form a 21 helix propagating along the b-axis direction. The helices stack up the short crystallographic a axis, and are linked by offset π-π inter-actions [inter-centroid distance = 3.983 (1) Å], forming layers lying parallel to the ab plane. A qu-anti-fication of the inter-molecular contacts in the crystal were estimated using Hirshfeld surface analysis and two-dimensional fingerprint plots.

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