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1.
Viral Immunol ; 37(3): 149-158, 2024 04.
Article En | MEDLINE | ID: mdl-38573237

Hepatitis B Virus (HBV) is posing as a serious public health threat mainly due to its asymptomatic nature of infection in pregnancy and vertical transmission. Viral sensing toll-like receptors (TLR) and Interleukins (IL) are important molecules in providing an antiviral state. The study aimed to assess the role of TLR7-mediated immune modulation, which might have an impact in the intrauterine transmission of HBV leading to mother to child transmission of the virus. We investigated the expression pattern of TLR7, IL-3, and IL-6 by RT-PCR in the placentas of HBV-infected pregnant women to see their role in the intrauterine transmission of HBV. We further validated the expression of TLR7 in placentas using Immunohistochemistry. Expression analysis by RT-PCR of TLR7 revealed significant downregulation among the Cord blood (CB) HBV DNA positive and negative cases with mean ± standard deviation (SD) of 0.43 ± 0.22 (28) and 1.14 ± 0.57 (44) with p = 0.001. IL-3 and IL-6 expression revealed significant upregulation in the CB HBV DNA-positive cases with p = 0.001. Multinomial logistic regression analysis revealed that TLR7 and IL-3 fold change and mother HBeAg status are important predictors for HBV mother to child transmission. Immunohistochemistry revealed the decreased expression of TLR7 in CB HBV DNA-positive cases. This study reveals that the downregulation of TLR7 in the placenta along with CB HBV DNA-positive status may lead to intrauterine transmission of HBV, which may lead to vertical transmission of HBV.


Hepatitis B , Pregnancy Complications, Infectious , Female , Humans , Pregnancy , DNA, Viral , Hepatitis B e Antigens , Hepatitis B Surface Antigens , Hepatitis B virus , Infectious Disease Transmission, Vertical , Interleukin-3 , Interleukin-6/genetics , Toll-Like Receptor 7/genetics , Infant, Newborn
2.
J Colloid Interface Sci ; 665: 988-998, 2024 Jul.
Article En | MEDLINE | ID: mdl-38574587

In applications utilizing Covalent Organic Frameworks (COFs) for adsorption, the interplay between crystallinity (vis-à-vis surface area) and active sites still remains ambiguous. To address this, the present study introduces three isoreticular COFs-COP-N18 (covalent organic polymer with short-range order), COF-N18 (COF having long-range order), and COF-N27 (semicrystalline COF with pyridyl heteroatoms)-to explore this duality. Through systematic variations in structural order, pore volume, and pore-wall nitrogen content, we aim to establish a structure-activity relationship (SAR) for these COFs via adsorption and catalysis, using CO2 and I2 as probes. Our investigation highlights the positive influence of crystallinity, surface area, and pore volume in adsorption as well as catalysis. However, the presence of heteroatoms manifests complex behavior in CO2 adsorption and CO2 cycloaddition reactions with epoxides. COF-N18 and COF-N27 showed comparable CO2 uptake capacities at different temperatures (273, 293, and 313 K) and ∼1 bar pressure. Additionally, CO2 cycloaddition reactions were performed with substrates possessing different polarities (epichlorohydrin, 1,2-epoxydodecane) to elucidate the role of COF surface polarity. Further investigation into iodine adsorption was performed to understand the impact of COF structural features on the modes of adsorption and adsorption kinetics. Improvements in COF-crystallinity results in faster average iodine uptake rate at 80% (K80% = 1.79 g/h) by COF-N18. Whereas, heteroatom doping slows down iodine adsorption kinetics (0.35 g/h) by prolonging the adsorption process up to 72 h. Overall, this study advances our understanding of COFs as adsorbents and catalysts, providing key insights into their SAR while emphasizing structural fine-tuning as a key factor for impactful environmental applications.

3.
Cell Rep ; 43(3): 113858, 2024 Mar 26.
Article En | MEDLINE | ID: mdl-38416645

RNA has been implicated in the recruitment of chromatin modifiers, and previous studies have provided evidence in favor and against this idea. RNase treatment of chromatin is commonly used to study RNA-mediated regulation of chromatin modifiers, but the limitations of this approach remain unclear. RNase A treatment during chromatin immunoprecipitation (ChIP) reduces chromatin occupancy of the H3K27me3 methyltransferase Polycomb repressive complex 2 (PRC2). This led to suggestions of an "RNA bridge" between PRC2 and chromatin. Here, we show that RNase A treatment during ChIP causes the apparent loss of all facultative heterochromatin, including both PRC2 and H3K27me3 genome-wide. We track this observation to a gain of DNA from non-targeted chromatin, sequenced at the expense of DNA from facultative heterochromatin, which reduces ChIP signals. Our results emphasize substantial limitations in using RNase A treatment for mapping RNA-dependent chromatin occupancy and invalidate conclusions that were previously established for PRC2 based on this assay.


Chromatin , Polycomb Repressive Complex 2 , Polycomb Repressive Complex 2/genetics , Polycomb Repressive Complex 2/metabolism , Histones/genetics , RNA/genetics , Heterochromatin , Ribonuclease, Pancreatic , Artifacts , DNA
4.
Biochem Genet ; 2024 Feb 16.
Article En | MEDLINE | ID: mdl-38363412

Highly polymorphic BCR-ABL kinase domains have been reported to harbor more than a hundred mutations, and among these, 40-60% have been identified as influencers of imatinib mesylate (IM) resistance. The emergence of IM resistance poses a significant challenge in the management of Chronic Myeloid Leukemia (CML). M351T (rs121913457), E255K (rs387906517), and Y253H (rs121913461) are of particular clinical significance due to their association with high-level imatinib resistance. This study was conducted to investigate the potential role of three significant SNPs in CML progression due to IM resistance. During the study period from 2018 to 2022 (48 months), the blood samples from 219 Reverse transcriptase-PCR-confirmed CML patients following RNA extraction and cDNA preparation were subjected to M351T, E255K, and Y253H mutation analysis by PCR-RFLP. After agarose gel visualization, the samples were subjected to Sanger sequencing to confirm the nucleotide change at the polymorphic loci. The wild-type genotype of all three ABL1 SNPs under investigation exhibits a significant reduction in frequency among IM non-responders compared to the responder group. The CGT haplotype frequency exhibits a significant difference between IM responder (4.2%) and non-responder (11.8%) (p = 0.002 < 0.05). Further, CGC haplotype was observed solely among the imatinib non-responder patients with a frequency percentage of 3.3% (p = 0.004), whereas the said genotype was absent among the responder group. A reduced overall survival rate was observed with deviation from wild-type genotype (M351T loci (T > C) with 1.217 times, E255K (G > A) with 1.485 and Y253H (T > C) with 1.399 times increase in hazard ratio) thereby enhancing mortality risk due to disease progression. The significant increase in the frequency of M351T, E255K, and Y253H loci among the IM non-responder group indicated their probable association with the development of IM resistance among CML patients. A haplotype frequency distribution pattern analysis of ABL1 loci further identified the CGC haplotype as an independent predictor for IM resistance. As such the study highlights the importance of patient characteristics, genotype distribution, and haplotype frequency distribution in predicting the response to IM treatment and clinical outcomes of CML patients.

5.
bioRxiv ; 2024 Feb 12.
Article En | MEDLINE | ID: mdl-38405976

The compaction of chromatin is a prevalent paradigm in gene repression. Chromatin compaction is commonly thought to repress transcription by restricting chromatin accessibility. However, the spatial organisation and dynamics of chromatin compacted by gene-repressing factors are unknown. Using cryo-electron tomography, we solved the threedimensional structure of chromatin condensed by the Polycomb Repressive Complex 1 (PRC1) in a complex with CBX8. PRC1-condensed chromatin is porous and stabilised through multivalent dynamic interactions of PRC1 with chromatin. Mechanistically, positively charged residues on the internally disordered regions (IDRs) of CBX8 mask negative charges on the DNA to stabilize the condensed state of chromatin. Within condensates, PRC1 remains dynamic while maintaining a static chromatin structure. In differentiated mouse embryonic stem cells, CBX8-bound chromatin remains accessible. These findings challenge the idea of rigidly compacted polycomb domains and instead provides a mechanistic framework for dynamic and accessible PRC1-chromatin condensates.

6.
Indian J Orthop ; 57(Suppl 1): 33-41, 2023 Dec.
Article En | MEDLINE | ID: mdl-38107805

Osteoporosis and sarcopenia are major health issues which are going to have a significant impact in an aging global population. Osteoporosis, which reduces bone density and increases fracture risk, and sarcopenia, which causes muscle loss and strength loss, have a complicated risk profile with consequences that go beyond bone and muscle health. This chapter illuminates the complex link between osteoporosis and sarcopenia, including overlapping causes, clinical consequences, and new treatments. This chapter covers bone and muscle biology, age-related changes that cause osteoporosis and sarcopenia, and the importance of physical exercise and diet in their prevention and management. It also discusses clinical evaluation methods, risk assessment and diagnostic criteria for early diagnosis and intervention. Novel therapies and continuing research in the management of osteoporosis and sarcopenia are also discussed. Medications, exercise, and nutrition can promote bone and muscle health. This chapter aims to explore the recent concepts by elucidating the complex relationship between osteoporosis and sarcopenia and advocating for integrated care paradigms.

7.
Asian Pac J Cancer Prev ; 24(12): 4059-4069, 2023 Dec 01.
Article En | MEDLINE | ID: mdl-38156838

INTRODUCTION: Imatinib Mesylate is an authenticated drug that aids in the treatment of Chronic Myeloid Leukaemia and Philadelphia patients which is recognized as a BCR-ABL tyrosine kinase inhibitor. Indeed, DNA Methylation occupies a key role in the stability of chromosomes. OBJECTIVE: Changes in the methylation status of genes may impart to the advancement of Chronic Myeloid Leukaemia. The present investigation aims to assess the role of expression analysis and methylation status of DDIT3 and MGMT genes in imatinib-resistant and nonresistant cases. METHODS: The Imatinib resistance was screened through RFLP. In this case maximum number of patients were recorded in the chronic phase belonging to the age group 40-59 and the accelerated and blast phase is more common in elderly patients showing the progressive nature of the disease with age. Hemoglobin and platelet count are found to be higher in cases where WBC count was minimal. A history of long-term alcohol consumption is found to be associated with the progression of the disease. RESULTS: The maximum level of expression of the DDIT3 gene was recorded in the chronic phase regardless of upstream (67.8%) and downstream (57.9%) regulation. The highest MGMT expression regulation was also observed in the case of chronic phase in both upstream (78.9%) and downstream (44%) regulation. Further, the MGMT gene showed the highest methylation of 6.6% and DDIT3 showed 3.3% in CML cases. CONCLUSION: In the present study notable depletion of survivality was established in the Imatinib resistance patients manifesting genetic malfunction of BCR-ABL transcripts among the North East Indian inhabitants and advocating for the expansion of the disease.


Leukemia, Myelogenous, Chronic, BCR-ABL Positive , Pyrimidines , Humans , Aged , Imatinib Mesylate/pharmacology , Imatinib Mesylate/therapeutic use , Pyrimidines/adverse effects , Leukemia, Myelogenous, Chronic, BCR-ABL Positive/drug therapy , Leukemia, Myelogenous, Chronic, BCR-ABL Positive/genetics , Protein Kinase Inhibitors/pharmacology , Disease Progression , Epigenesis, Genetic , Drug Resistance, Neoplasm/genetics , Fusion Proteins, bcr-abl/genetics , Transcription Factor CHOP/genetics , Transcription Factor CHOP/therapeutic use , DNA Modification Methylases/genetics , Tumor Suppressor Proteins/genetics , DNA Repair Enzymes/genetics
8.
Asian Pac J Cancer Prev ; 24(10): 3353-3360, 2023 10 01.
Article En | MEDLINE | ID: mdl-37898838

BACKGROUND: The proactive role of vitamin D has been well determined in different cancers. The protein that encodes the components of the vitamin D metabolism could appear to play a pivotal role in vitamin D stability and its maintenance. A polymorphism in vitamin-D-receptor (VDR), carrier globulin/binding protein (GC) and cytochrome P-450 family 2, subfamily R, polypeptide 1 (CYP2R1) genes has been predicted to be associated with the development of cancer. This study was designed to detect the association of VDR, GC Globulin and CYP2R1 gene polymorphism with the risk of esophageal cancer in the North-east Indian population. METHODS: To carry out the study, a total of 100 patients diagnosed with esophageal cancer and 101 healthy controls were enrolled. In a case-control manner, all samples were subjected to do genotype testing for known SNPs on the VDR (rs1544410), GC (rs4588), and CYP2R1 (rs10741657) genes using Restriction-fragment length polymorphism (RFLP) followed by Sanger sequencing. The collected demographic and clinical data were analysed using the statistical software package SPSS v22.0. RESULTS: The VDR haplotype heterozygous TC was found strongly associated with the carcinoma group (OR:1.09, 95%CI:0.67-1.75). The risk factors analysis using the GC globulin rs4588 phenotype, found a positive correlation in terms of mutant AA's harmful influence on the cancer cohort (OR = 1.125, OR=1.125, 95% CI, 0.573-2.206). The influence of the CYP2R1 rs10741657 polymorphism on the malignant cohort revealed that the GG mutant had a significant negative influence on the carcinoma, has an influential role in disease severity ( OR:1.736, at 95% CI; 0.368-8.180). CONCLUSION: In conclusion, this study revealed the potential association of VDR gene polymorphism in the progression and development of esophageal cancer in north east Indian population cohort.


Carcinoma , Esophageal Neoplasms , Humans , Polymorphism, Single Nucleotide , Vitamin D-Binding Protein/genetics , Cholestanetriol 26-Monooxygenase/genetics , Receptors, Calcitriol/genetics , Vitamin D , Genotype , Cytochrome P450 Family 2/genetics , Esophageal Neoplasms/genetics , Genetic Predisposition to Disease , Case-Control Studies
9.
ACS Nano ; 17(24): 24802-24813, 2023 Dec 26.
Article En | MEDLINE | ID: mdl-37890869

Structural characterization is crucial to understanding protein function. Compared with X-ray diffraction methods, electron crystallography can be performed on nanometer-sized crystals and can provide additional information from the resulting Coulomb potential map. Whereas electron crystallography has successfully resolved three-dimensional structures of vitrified protein crystals, its widespread use as a structural biology tool has been limited. One main reason is the fragility of such crystals. Protein crystals can be easily damaged by mechanical stress, change in temperature, or buffer conditions as well as by electron irradiation. This work demonstrates a methodology to preserve these nanocrystals in their natural environment at room temperature for electron diffraction experiments as an alternative to existing cryogenic techniques. Lysozyme crystals in their crystallization solution are hermetically sealed via graphene-coated grids, and their radiation damage is minimized by employing a low-dose data collection strategy in combination with a hybrid-pixel direct electron detector. Diffraction patterns with reflections of up to 3 Å are obtained and successfully indexed using a template-matching algorithm. These results demonstrate the feasibility of in situ protein electron diffraction. The method described will also be applicable to structural studies of hydrated nanocrystals important in many research and technological developments.


Electrons , Proteins , Temperature , Proteins/chemistry , Crystallography, X-Ray , X-Ray Diffraction
10.
Viral Immunol ; 36(8): 534-543, 2023 10.
Article En | MEDLINE | ID: mdl-37669039

Vitamin D exerts its antiviral effect through vitamin D receptor (VDR)/retinoid X receptor-mediated host immunomodulation. Besides the downregulation of VDR expression, its polymorphism was also observed among hepatitis B virus (HBV)-positive patients. To understand the possible link between VDR polymorphism and its altered expression during HBV infection and disease progression, VDR Apa-I [rs7975232 (C>A)] single nucleotide polymorphism (SNP) was analyzed in a case-control manner. VDR Apa-I (rs7975232, C>A) polymorphism was studied using 340 HBV patients and 102 healthy controls. Genotype analysis and gene expression study was performed using restriction fragment length polymorphism and quantitative polymerase chain reaction, respectively. Statistical analysis was performed using SPSS (IBM) considering p-value <0.05 as significant for comparing the differences between the groups. Significant mean difference in VDR expression was observed between HBV-positive patients (1.6 ± 0.94) and controls (0.69 ± 0.73). Furthermore, the mean fold change of Healthy control with CC genotype (1.92 ± 0.99) was found to be marginally significant compared with mutant genotype (CA/AA) (1.08 ± 0.43/0.59 ± 0.56, p = 0.045). In HBV+ patients, the mean fold change in the CC genotype was 0.88 ± 0.38, which exhibits a significant mean difference upon comparison with other genotypes (0.52 ± 0.49, 0.113 ± 0.34; p = 0.018, p = 0.048). However, the fold change value does not differ between CA and AA genotypes. Further comparative analysis of VDR expression between the control and case also exhibits significant differences (p = 0.001) among allelic variants. Observed genotype distribution frequency exhibits a significant association with disease type. The mutant genotype was found to be significantly associated with HBV infection and disease progression, (odds ratio = 0.730, 95% confidence interval = 0.462-1.152, p = 0.06). VDR SNP rs7975232 (C>A) may affect VDR expression by controlling several other variables and suggest that deviation from wild-type genotype (CC) is associated with downregulation of expression, which in turn involved in host immunomodulation in favor of HBV infection and disease progression.


Hepatitis B virus , Hepatitis B , Receptors, Calcitriol , Humans , Case-Control Studies , Disease Progression , Gene Frequency , Genetic Predisposition to Disease , Genotype , Hepatitis B/genetics , Polymorphism, Single Nucleotide , Receptors, Calcitriol/genetics , Risk Factors
11.
Am J Reprod Immunol ; 90(2): e13747, 2023 08.
Article En | MEDLINE | ID: mdl-37491930

PROBLEM: Hepatitis B is one of the leading causes of mortality in India. Despite the mass vaccination programme, the burden of the infection is still increasing due to its vertical transmission. Asymptomatic nature of hepatitis B virus (HBV) infection owing to immune tolerance among pregnant women is a major issue in this regard. METHOD OF STUDY: As such, this study aims to investigate the potential role of altered Toll-like receptor (TLR) expression (TLR-3, 7 and 9) along with peripheral blood HBeAg status in attaining differential cord blood (CB) HBV DNA status. RESULT: Expression analysis reveals an overall downregulation of expression with mean ± SD value 1.14 ± 1.05, 0.86 ± 0.5 and 0.71 ± 0.4 (TLR 3, 7 and 9, respectively) upon comparison with healthy women. Further stratification based on CB HBV DNA status; the downregulation of expression was found to be significantly (p < .05) associated with positive CB HBV DNA status apart from peripheral HBeAg status. One hundred percent HBeAg positive parturiting women exhibit positive CB HBV DNA. Pearson's correlation analysis reveals a positive correlation between CB HBV DNA status and altered TLR expression, HBeAg status and mother HBV DNA status and as such can be associated with the potential risk of HBV vertical transmission. CONCLUSION: This study suggests that the downregulation of TLR 3, 7 and 9 may be a risk factor for potential vertical transmission of HBV.


Hepatitis B , Pregnancy Complications, Infectious , Female , Pregnancy , Humans , Hepatitis B virus , Hepatitis B e Antigens , Toll-Like Receptor 3 , Hepatitis B Surface Antigens , DNA, Viral , Toll-Like Receptors , Infectious Disease Transmission, Vertical
12.
Gene ; 873: 147451, 2023 Jul 15.
Article En | MEDLINE | ID: mdl-37150234

The pathogenetic events of liver disease are seemingly determined by factors linked to ethanol metabolism. The variations in genes encoding enzymes of the ethanol metabolic pathway can influence exposure to alcohol and thus may act as risk factors for the development of liver disease. The present study aimed to understand the genetic aspect of germline variations in ethanol metabolic pathway genes in two major categories of liver disease i.e. ALD and NAFLD. Targeted Re-sequencing was performed in the two disease categories along with healthy control followed by an assessment and evaluation of the variants in a case vs control manner. The pathogenicity prediction was evaluated using SIFT, PolyPhen, PROVEN, LRT, CADD, FATHMM, EIGEN, REVEL and VarSome, while MD simulation of a novel significant variant was performed using the GROMACS 5.1.4 package. The annotation of targeted re-sequencing results revealed 2172 variants in different locations of the genes. Upon recurrent assessment predominantly focusing on exonic missense variants from these genes of the alcohol metabolism pathway, the ALDH1L2 [c.337C > G, p.Pro113Ala, (rs199841702)] variant was found highly significant with comprehensive results. The amino acid substitution tool that predicted protein stability due to a point mutation showed a decrease in stability. The genotyping distribution of the identified novel variant in the population revealed that heterozygosity is significantly distributed in ALD patients. However, the predominant association between the inherited variant and the cause of developing disease needs further robust study.


Genetic Predisposition to Disease , Non-alcoholic Fatty Liver Disease , Humans , Germ-Line Mutation , Ethanol , Germ Cells
13.
Inorg Chem ; 62(9): 3875-3885, 2023 Mar 06.
Article En | MEDLINE | ID: mdl-36802595

The practical applicability of thiolated metal-organic frameworks (MOFs) remains challenging due to their low crystallinity and transient stability. Herein, we present a one-pot solvothermal synthesis process using varying ratios of 2,5-dimercaptoterephthalic acid (DMBD) and 1,4-benzene dicarboxylic acid (100/0, 75/25, 50/50, 25/75, and 0/100) to prepare stable mixed-linker UiO-66-(SH)2 MOFs (ML-U66SX). For each variant, the effects of different linker ratios on the crystallinity, defectiveness, porosity, and particle size have been discussed in detail. In addition, the impact of modulator concentration on these features has also been described. The stability of ML-U66SX MOFs was investigated under reductive and oxidative chemical conditions. The mixed-linker MOFs were used as sacrificial catalyst supports to highlight the interplay of template stability on the rate of the gold-catalyzed 4-nitrophenol hydrogenation reaction. The release of catalytically active gold nanoclusters originating from the framework collapse decreased with the controlled DMBD proportion, resulting in a 59% drop in the normalized rate constants (9.11-3.73 s-1 mg-1). In addition, post-synthetic oxidation (PSO) was used to further probe the stability of the mixed-linker thiol MOFs under harsh oxidative conditions. Following oxidation, the UiO-66-(SH)2 MOF underwent immediate structural breakdown, unlike other mixed-linker variants. Along with crystallinity, the microporous surface area of the post-synthetically oxidized UiO-66-(SH)2 MOF could be increased from 0 to 739 m2 g-1. Thus, the present study delineates a mixed-linker strategy to stabilize the UiO-66-(SH)2 MOF under harsh chemical conditions through meticulous thiol decoration.

14.
Reprod Domest Anim ; 58(2): 219-229, 2023 Feb.
Article En | MEDLINE | ID: mdl-36222382

In vitro culture and expansion of spermatogonial stem cells (SSCs) is an essential prerequisite to enhancing livestock productivity through SSC transplantation. Most of the culture media have been observed to be supplemented with serum. However, the use of serum in culture media may exert detrimental effects on SSC maintenance in vitro. An attempt was made to culture SSCs by replacing serum with 5% 'Knockout Serum Replacement (KSR)' in Doom pig (Sus domesticus), one of the valued indigenous germplasm of North-East India. Testes from 7 to 15 days old piglets were used for isolation, enrichment and in vitro culture of putative SSCs using serum-based and serum-free culture media. The cells were characterized for SSC-specific pluripotent markers expression by immunofluorescence staining and quantitative real-time PCR. The diameter and number of SSC colonies were recorded on days 9, 20 and 30 of culture. Similar morphologies of the SSC colonies were observed in both serum-based and serum-free culture conditions. Colony diameter and colony number were non-significantly higher in serum-free than serum-based media. The cells from both the culture conditions showed high alkaline phosphatase activity. The expression of SSC-specific pluripotent markers was observed in immunofluorescence and quantitative real-time PCR study. The present study revealed that SSCs from porcine species could be maintained in vitro for up to 30 days in serum-free culture using 5% KSR, which is believed to be a promising protein source for improving livestock production, and health care along with their conservation.


Spermatogonia , Testis , Male , Animals , Swine , Cells, Cultured , Testis/metabolism , Spermatogonia/metabolism , Stem Cells/metabolism , Culture Media
15.
Acta Crystallogr C Struct Chem ; 78(Pt 11): 647-652, 2022 Nov 01.
Article En | MEDLINE | ID: mdl-36331889

The phase behaviour of 4-[trans-4-(trans-4-propylcyclohexyl)cyclohexyl]benzonitrile, C22H31N, 1, has been examined. This compound has two different solid phases, denoted I and II, and exhibits thermotropic liquid-crystalline behaviour, with a remarkable interval of stability of the mesophase between the lower melting solid phase (75 °C) and the isotropization temperature (247 °C). The crystal and molecular structures of solid phase I have been determined at 173 K. The cyclohexyl rings both adopt the chair conformation and are equatorially substituted. The packing of 1 in the crystalline state is driven by the antiparallel arrangement of cyano dipoles with the formation of close contacts involving the strong cyano acceptor and weak aromatic C-H or aliphatic C-H donors. The crystal packing is discussed and compared with X-ray diffraction data in the liquid-crystalline state. The combination of thermal analysis, optical polarizing microscopy and X-ray diffraction analysis suggests that the mesophase is a partially ordered smectic phase. The lamellar structure of the mesophase is retained in crystalline solid phase II obtained by cooling the liquid-crystalline phase.

16.
Polymers (Basel) ; 14(20)2022 Oct 18.
Article En | MEDLINE | ID: mdl-36297980

The principal objective of this study is to employ non-destructive broadband dielectric spectroscopy/impedance spectroscopy and machine learning techniques to estimate the moisture content in FRP composites under hygrothermal aging. Here, classification and regression machine learning models that can accurately predict the current moisture saturation state are developed using the frequency domain dielectric response of the composite, in conjunction with the time domain hygrothermal aging effect. First, to categorize the composites based on the present state of the absorbed moisture supervised classification learning models (i.e., quadratic discriminant analysis (QDA), support vector machine (SVM), and artificial neural network-based multilayer perceptron (MLP) classifier) have been developed. Later, to accurately estimate the relative moisture absorption from the dielectric data, supervised regression models (i.e., multiple linear regression (MLR), decision tree regression (DTR), and multi-layer perceptron (MLP) regression) have been developed, which can effectively estimate the relative moisture absorption from the dielectric response of the material with an R¬2 value greater than 0.95. The physics behind the hygrothermal aging of the composites has then been interpreted by comparing the model attributes to see which characteristics most strongly influence the predictions.

17.
Dalton Trans ; 51(28): 10779-10786, 2022 Jul 19.
Article En | MEDLINE | ID: mdl-35611756

Detection of biological phosphate is very important for environmental and health care applications. In this study, a new ratiometric fluorescent probe (E)-N'-(3-(benzo[d]thiazol-2-yl)-2-hydroxybenzylidene) picolinohydrazide (BTP) is developed and exhibits a prominent excited-state intramolecular proton-transfer (ESIPT) mechanism. The probe BTP undergoes a unique phosphate induced hydrolytic reaction in mixed aqueous solution which produces a colorimetric change associated with a huge red-shift of ∼130 nm in the UV-visible absorption spectrum. Initially, BTP exhibits a strong fluorescence emission as the ESIPT process is 'on' and the tautomeric hydrogen remains flexible and is free to give two tautomeric forms. Eventually, after the addition of PO43-, the two tautomeric forms break and thereby shift the equilibrium towards the 'enol' form. The phosphate ion binds with BTP which is associated with a ratiometric change and accounts for an enhancement in the fluorescence intensity with a large blue shift and the limit of detection value of 8.33 × 10-8 M in a mixed aqueous medium. The binding constant (1.92 × 105 M-1) proportionally reflects the stability of the complexation between the binding sites of BTP with the guest PO43- anion. The probable mechanism is supported by the NMR spectroscopy studies. The sensing phenomenon is found to be reversible towards Zn2+ and thus the sensor beautifully mimics the INHIBIT logic gate. Observations have been made in fluorescence imaging studies with human peripheral blood mononuclear cells (PBMCs) which indicates that BTP can be employed to successfully monitor the phosphate ion in human PBMCs.


Leukocytes, Mononuclear , Protons , Fluorescent Dyes/chemistry , Humans , Phosphates , Spectrometry, Fluorescence/methods , Water/chemistry
18.
J Digit Imaging ; 35(3): 408-423, 2022 06.
Article En | MEDLINE | ID: mdl-35166968

CompreHensive Digital ArchiVe of Cancer Imaging - Radiation Oncology (CHAVI-RO) is a multi-tier WEB-based medical image databank. It supports archiving de-identified radiological and clinical datasets in a relational database. A semantic relational database model is designed to accommodate imaging and treatment data of cancer patients. It aims to provide key datasets to investigate and model the use of radiological imaging data in response to radiation. This domain of research area addresses the modeling and analysis of complete treatment data of oncology patient. A DICOM viewer is integrated for reviewing the uploaded de-identified DICOM dataset. In a prototype system we carried out a pilot study with cancer data of four diseased sites, namely breast, head and neck, brain, and lung cancers. The representative dataset is used to estimate the data size of the patient. A role-based access control module is integrated with the image databank to restrict the user access limit. We also perform different types of load tests to analyze and quantify the performance of the CHAVI databank.


Neoplasms , Radiology Information Systems , Radiology , Databases, Factual , Humans , Pilot Projects , Software
19.
Sci Rep ; 11(1): 17878, 2021 09 09.
Article En | MEDLINE | ID: mdl-34504255

As the COVID-19 infection continues to ravage the world, the advent of an efficient as well as the economization of the existing RT-PCR based detection assay essentially can become a blessing in these testing times and significantly help in the management of the pandemic. This study demonstrated an innovative and rapid corroboration of COVID-19 test based on innovative multiplex PCR. An assessment of optimal PCR conditions to simultaneously amplify the SARS-CoV-2 genes E, S and RdRp has been made by fast-conventional and HRM coupled multiplex real-time PCR using the same sets of primers. All variables of practical value were studied by amplifying known target-sequences from ten-fold dilutions of archived positive samples of COVID-19 disease. The multiplexing with newly designed E, S and RdRp primers have shown an efficient amplification of the target region of SARS-CoV-2. A distinct amplification was observed in 37 min using thermal cycler while it took 96 min in HRM coupled real time detection using SYBR green over a wide range of template concentrations. Our findings revealed decent concordance with other commercially available detection kits. This fast HRM coupled multiplex real-time PCR with SYBR green approach offers rapid and sensitive detection of SARS-CoV-2 in a cost-effective manner apart from the added advantage of primer compatibility for use in conventional multiplex PCR. The highly reproducible novel approach can propel extended applicability for developing sustainable commercial product besides providing relief to a resource limited setting.


COVID-19 Nucleic Acid Testing/methods , COVID-19/diagnosis , Nucleic Acid Amplification Techniques/methods , Reverse Transcriptase Polymerase Chain Reaction/methods , SARS-CoV-2/genetics , Humans , Nucleic Acid Amplification Techniques/economics , RNA, Viral/genetics , RNA-Dependent RNA Polymerase/genetics , Reverse Transcriptase Polymerase Chain Reaction/economics , Sensitivity and Specificity , Spike Glycoprotein, Coronavirus/genetics , Viroporin Proteins/genetics
20.
Acta Crystallogr C Struct Chem ; 77(Pt 7): 435-440, 2021 07 01.
Article En | MEDLINE | ID: mdl-34216450

The crystal structures of difluorine derivatives of p-terphenyls (nTm) have been determined by single-crystal X-ray diffraction. For the unsymmetrical substituted compounds 2',3'-difluoro-4-methyl-p-terphenyl (1T0, C19H14F2) and 4-ethyl-2',3'-difluoro-4''-methyl-p-terphenyl (1T2, C21H18F2), the crystal structure is disordered, with molecules statistically entering the crystal in up and down orientations, with full superposition of all the atoms, except for those of the terminal groups (H/methyl for 1T0 and methyl/ethyl for 1T2). For triclinic 2',3'-difluoro-4,4''-dimethyl-p-terphenyl (1T1, C20H16F2), with the space group P-1, the two crystallographically independent molecules have the same conformation, which is different from monoclinic 1T0 (space group C2) and 1T2 (space group C2/c). A common feature of the conformation of the three compounds is the noncoplanar twisted arrangement of the three rings of the p-terphenyl moiety. Two-dimensional (2D) Hirshfeld fingerprint plots are consistent with H...H and C...H contacts in the crystal packing. For the three compounds, the phase behaviour has been investigated by POM (Petra/Osiris/Molinspiration) and differential scanning calorimetry (DSC) analysis. 1T2 is mesogenic, with enantiotropic nematic behaviour.

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