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1.
OMICS ; 2024 Jul 09.
Article in English | MEDLINE | ID: mdl-38979603

ABSTRACT

There is a pressing need for novel pharmacological interventions and drug delivery innovations to attenuate the cigarette smoke-associated oxidative stress and lung disease. We report here on the attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR) and metabolomics of Wistar rats exposed to cigarette smoke for 28 days. The animals were treated for 15 days with plain cysteamine given orally or cysteamine as nanoemulsion given orally or via inhalation. The study design also included two control groups as follows: rats exposed to cigarette smoke but did not receive a treatment (diseased control group) and rats neither exposed to cigarette smoke nor a treatment (normal control group). The targeted metabolomics using Parallel Reaction Monitoring showed that in the diseased control group, ornithine, nicotinamide, xanthine, hypoxanthine, and caprolactam were increased compared with the normal control group. In addition, (±)8(9)-DiHET, which was initially downregulated in the diseased control group, exhibited a reversal of this trend with cysteamine nanoemulsion given via inhalation. The cysteamine nanoemulsion delivered by inhalation highlighted the importance of the route of drug administration for targeting the lungs. To the best of our knowledge, this is the first work to use ATR-FTIR and metabolomics in Wistar rat lung tissues, suggesting how cysteamine nanoemulsion can potentially reduce cigarette smoke-induced oxidative damage. The metabolites reported herein have potential implications for discovery of novel theranostics and, thus, to cultivate diagnostic and therapeutic innovation for early prevention and treatment of cigarette smoke-associated lung diseases.

2.
ChemSusChem ; : e202401049, 2024 Jul 04.
Article in English | MEDLINE | ID: mdl-38963775

ABSTRACT

Developing efficient metal-free catalysts for lignin valorization is essential but challenging. In this study, a cost-effective strategy is employed to synthesize a P, N co-doped carbon catalyst through hydrothermal and carbonization processes. This catalyst effectively cleaved α-O-4, ß-O-4, and 4-O-5 lignin linkages, as demonstrated with model compounds. Various catalysts were prepared at different carbonization temperatures and thoroughly characterized using techniques such as XRD, RAMAN, FTIR, XPS, NH3-TPD, and HRTEM. Attributed to higher acidity, the P5NC-500 catalyst exhibited the best catalytic activity, employing H2O2 as the oxidant in water. Additionally, this metal-free technique efficiently converted simulated lignin bio-oil, containing all three linkages, into valuable monomers. Density Functional Theory calculations provided insight into the reaction mechanism, suggesting substrate and oxidant activation by P-O-H sites in the P5NC-500, and by N-C-O-H in the CN catalyst. Moreover, the catalyst's recyclability and water utilization enhance its environmental compatibility, offering a highly sustainable approach to lignin valorization with potential applications in various industries.

3.
ACS Appl Mater Interfaces ; 16(27): 34859-34879, 2024 Jul 10.
Article in English | MEDLINE | ID: mdl-38940603

ABSTRACT

MnOx-based materials have limited capacity and poor conductivity over various voltages, hampering their potential for energy storage applications. This work proposes a novel approach to address these challenges. A self-oriented multiple-electronic structure of a 1D-MnO2-nanorod/2D-Mn2O3-nanosphere composite was assembled on 2D-graphene oxide nanosheet/1D-carbon nanofiber (GO/CNF) hybrids. Aided by K+ ions, the MnO2 nanorods were partially converted to Mn2O3 nanospheres, while the GO nanosheets were combined with CNF through hydrogen bonds resulting in a unique double binary 1D-2D mixed morphology of MnO2/Mn2O3-GO/CNF hybrid, having a novel mechanism of multiple Mn ion redox reactions facilitated by the interconnected 3D network. The morphology of the MnO2 nanorods was controlled by regulating the potassium ion content through a rinsing strategy. Interestingly, pure MnO2 nanorods undergo air-annealing to form a mixture of nanorods and nanospheres (MnO2/Mn2O3) with a distinct morphology indicating pseudocapacitive surface redox reactions involving Mn2+, Mn3+, and Mn4+. In the presence of the GO/CNF framework, the charge storage properties of the MnO2/Mn2O3-GO/CNF composite electrode show dominant battery-type behavior because of the unique mesoporous structure with a crumpled morphology that provides relatively large voids and cavities with smaller diffusion paths to facilitate the accumulation/intercalation of charges at the inner electroactive sites for the diffusion-controlled process. The corresponding specific capacity of 800 C g-1 or 222.2 mAh g-1 at 1 A g-1 and remarkable cycling stability (95%) over 5000 cycles at 3 A g-1 were considerably higher than those of the reported electrodes of similar materials. Moreover, a hybrid supercapacitor device is assembled using MnO2/Mn2O3-GO/CNF as the positive electrode and activated carbon as the negative electrode, which exhibits a superior maximum energy density (∼25 Wh kg-1) and maximum power density (∼4.0 kW kg-1). Therefore, the as-synthesized composite highlights the development of highly active low-cost materials for next-generation energy storage applications.

4.
Chem ; 10(2): 686-697, 2024 Feb 08.
Article in English | MEDLINE | ID: mdl-38405332

ABSTRACT

Nitro(hetero)arene derivatives are essential commodity chemicals used in various products, such as drugs, polymers, and agrochemicals. In this study, we leverage the excited-state reactivities of copper catalysts and nitro(hetero)arenes, and the Umpolung reactivity of acyl radicals to convert readily available nitro(hetero)arenes directly to valuable 2-aminophenol derivatives, which are important scaffolds in many top-selling pharmaceuticals. This reaction is applicable to a variety of nitro(hetero)arenes, acyl chlorides, and late-stage modifications of complex molecules, making it a useful tool for the discovery of new functional molecules. Mechanistic studies, including radical trapping experiments, Stern Volmer quenching studies, light ON/OFF experiments, and 18O-labeling studies, suggest a reaction mechanism involving photoexcitation of a copper complex, diradical couplings, and an in-cage contact ion pair (CIP) migration. Our findings offer a streamlined protocol for synthesizing essential pharmacophores from nitro(hetero)arenes while simultaneously advancing knowledge in excited-state and radical chemistry and stimulating new reaction design and development.

5.
ChemCatChem ; 15(1)2023 Jan 09.
Article in English | MEDLINE | ID: mdl-38105796

ABSTRACT

Carbocycles are core skeletons in natural and synthetic organic compounds possessing a wide diversity of important biological activities. Herein, we report the development of an excited-state copper-catalyzed radical carbo-aroylation of unactivated alkenes to synthesize ketonylated tetralins, di- and tetrahydrophenanthrenes, and cyclopentane derivatives. The reaction is operationally simple and features mild reaction conditions that tolerate a broad range of functional groups. Preliminary mechanistic studies suggest a reaction pathway beginning with photoexcitation of [CuI-BINAP]2 and followed by a single electron transfer (SET), radical aroylation of unactivated alkenes, radical cyclization, and re-aromatization, affording the desired ketonylated carbocycles.

6.
ChemSusChem ; 16(18): e202300491, 2023 Sep 22.
Article in English | MEDLINE | ID: mdl-37314827

ABSTRACT

Brønsted-Evans-Polanyi (BEP) and transition-state-scaling (TSS) relationships have become valuable tools for the rational design of catalysts for complex reactions like hydrodeoxygenation (HDO) of bio-oil (containing heterocyclic and homocyclic molecules). In this work, BEP and TSS relationships are developed for all the elementary steps of furan activation (C and O hydrogenation and CHx -OHy scission, for both ring and open-ring intermediates) to oxygenates, ring-saturated compounds and deoxygenated products on the most stable facets of Ni, Co, Rh, Ru, Pt, Pd, Fe and Ir surfaces using Density Functional Theory (DFT) calculations. Furan ring opening barriers were found to be facile and strongly dependent on carbon and oxygen binding strength on the investigated surfaces. Our calculations suggest linear chain oxygenates form on Ir, Pt, Pd and Rh surfaces due to their low hydrogenation and high CHx -OHy scission barriers, while deoxygenated linear products are favoured on Fe and Ni surfaces due to their low CHx -OHy scission and moderate hydrogenation barriers. Bimetallic alloy catalysts were also screened for their potential HDO activity and PtFe catalysts were found to significantly lower the ring opening and deoxygenation barriers relative to the corresponding pure metals. The developed BEPs for monometallic surfaces can be extended to estimate the barriers on bimetallic surfaces for ring opening and ring hydrogenation reactions but fails to predict the barriers for open-ring activation reactions due to the change in transition state binding sites on the bimetallic surface. The obtained BEP and TSS relationships can be used to develop microkinetic models for facilitating accelerated catalyst discovery for HDO.

7.
J Raman Spectrosc ; 54(1): 124-132, 2023 Jan.
Article in English | MEDLINE | ID: mdl-36713977

ABSTRACT

The world is on the brink of facing coronavirus's (COVID-19) fourth wave as the mutant forms of viruses are escaping neutralizing antibodies in spite of being vaccinated. As we have already witnessed that it has encumbered our health system, with hospitals swamped with infected patients observed during the viral outbreak. Rapid triage of patients infected with SARS-CoV-2 is required during hospitalization to prioritize and provide the best point of care. Traditional diagnostics techniques such as RT-PCR and clinical parameters such as symptoms, comorbidities, sex and age are not enough to identify the severity of patients. Here, we investigated the potential of confocal Raman microspectroscopy as a powerful tool to generate an expeditious blood-based test for the classification of COVID-19 disease severity using 65 patients plasma samples from cohorts infected with SARS-CoV-2. We designed an easy manageable blood test where we used a small volume (8 µl) of inactivated whole plasma samples from infected patients without any extra solvent usage in plasma processing. Raman spectra of plasma samples were acquired and multivariate exploratory analysis PC-LDA (principal component based linear discriminant analysis) was used to build a model, which segregated the severe from the non-severe COVID-19 group with a sensitivity of 83.87%, specificity of 70.60% and classification efficiency of 76.92%. Among the bands expressed in both the cohorts, the study led to the identification of Raman fingerprint regions corresponding to lipids (1661, 1742), proteins amide I and amide III (1555, 1247), proteins (Phe) (1006, 1034), and nucleic acids (760) to be differentially expressed in severe COVID-19 patient's samples. In summary, the current study exhibits the potential of confocal Raman to generate simple, rapid, and less expensive blood tests to triage the severity of patients infected with SARS-CoV-2.

8.
Mol Cell Proteomics ; 22(1): 100478, 2023 01.
Article in English | MEDLINE | ID: mdl-36470533

ABSTRACT

To date, very few mass spectrometry (MS)-based proteomics studies are available on the anterior and posterior lobes of the pituitary. In the past, MS-based investigations have focused exclusively on the whole pituitary gland or anterior pituitary lobe. In this study, for the first time, we performed a deep MS-based analysis of five anterior and five posterior matched lobes to build the first lobe-specific pituitary proteome map, which documented 4090 proteins with isoforms, mostly mapped into chromosomes 1, 2, and 11. About 1446 differentially expressed significant proteins were identified, which were studied for lobe specificity, biological pathway enrichment, protein-protein interaction, regions specific to comparison of human brain and other neuroendocrine glands from Human Protein Atlas to identify pituitary-enriched proteins. Hormones specific to each lobe were also identified and validated with parallel reaction monitoring-based target verification. The study identified and validated hormones, growth hormone and thyroid-stimulating hormone subunit beta, exclusively to the anterior lobe whereas oxytocin-neurophysin 1 and arginine vasopressin to the posterior lobe. The study also identified proteins POU1F1 (pituitary-specific positive transcription factor 1), POMC (pro-opiomelanocortin), PCOLCE2 (procollagen C-endopeptidase enhancer 2), and NPTX2 (neuronal pentraxin-2) as pituitary-enriched proteins and was validated for their lobe specificity using parallel reaction monitoring. In addition, three uPE1 proteins, namely THEM6 (mesenchymal stem cell protein DSCD75), FSD1L (coiled-coil domain-containing protein 10), and METTL26 (methyltransferase-like 26), were identified using the NeXtProt database, and depicted tumor markers S100 proteins having high expression in the posterior lobe. In summary, the study documents the first matched anterior and posterior pituitary proteome map acting as a reference control for a better understanding of functional and nonfunctional pituitary adenomas and extrapolating the aim of the Human Proteome Project towards the investigation of the proteome of life.


Subject(s)
Pituitary Gland, Anterior , Pituitary Gland, Posterior , Humans , Proteome/metabolism , Pituitary Gland, Anterior/metabolism , Pituitary Gland/metabolism , Pituitary Gland, Posterior/metabolism
9.
Proteomics Clin Appl ; 17(2): e2200062, 2023 03.
Article in English | MEDLINE | ID: mdl-36408811

ABSTRACT

PURPOSE: Colorectal cancer (CRC) has been reported as the second leading cause of cancer death worldwide. The 5-year annual survival is around 50%, mainly due to late diagnosis, striking necessity for early detection. This study aims to identify autoantibody in patients' sera for early screening of cancer. EXPERIMENTAL DESIGN: The study used a high-density human proteome array with approximately 17,000 recombinant proteins. Screening of sera from healthy individuals, CRC from Indian origin, and CRC from middle-east Asia origin were performed. Bio-statistical analysis was performed to identify significant autoantibodies altered. Pathway analysis was performed to explore the underlying mechanism of the disease. RESULTS: The comprehensive proteomic analysis revealed dysregulation of 15 panels of proteins including CORO7, KCNAB1, WRAP53, NDUFS6, KRT30, and COLGALT2. Further biological pathway analysis for the top dysregulated autoantigenic proteins revealed perturbation in important biological pathways such as ECM degradation and cytoskeletal remodeling etc. CONCLUSIONS AND CLINICAL RELEVANCE: The generation of an autoimmune response against cancer-linked pathways could be linked to the screening of the disease. The process of immune surveillance can be detected at an early stage of cancer. Moreover, AAbs can be easily extracted from blood serum through the least invasive test for disease screening.


Subject(s)
Biomarkers, Tumor , Colorectal Neoplasms , Humans , Biomarkers, Tumor/metabolism , Protein Array Analysis , Proteomics , Autoantibodies , Serum/metabolism , Colorectal Neoplasms/metabolism
10.
J Am Chem Soc ; 144(45): 20884-20894, 2022 11 16.
Article in English | MEDLINE | ID: mdl-36326178

ABSTRACT

Synthesis of α,ß-unsaturated-γ-lactams continue to attract attention due to the importance of this structural motif in organic chemistry. Herein, we report the development of a visible-light-induced excited-state copper-catalyzed [4 + 1] annulation reaction for the preparation of a wide range of γ-H, -OH, and -OR-substituted α,ß-unsaturated-γ-lactams using acrylamides as the 4-atom unit and aroyl chlorides as the 1-atom unit. This modular synthetic protocol features mild reaction conditions, broad substrate scope, and high functional group tolerance. The reaction is amenable to late-stage diversification of complex molecular architectures, including derivatives of marketed drugs. The products of the reaction can serve as versatile building blocks for further derivatization. Preliminary mechanistic studies suggest an inner-sphere catalytic cycle involving photoexcitation of the Cu(BINAP) catalyst, single-electron transfer, and capture of radical intermediates by copper species, followed by reductive elimination or protonation to give the desired γ-functionalized α,ß-unsaturated-γ-lactams.


Subject(s)
Copper , beta-Lactams , Copper/chemistry , Stereoisomerism , Catalysis
11.
ChemSusChem ; 15(23): e202201560, 2022 Dec 07.
Article in English | MEDLINE | ID: mdl-36134620

ABSTRACT

A chitosan-derived metal-free N-doped carbon catalyst was synthesized and investigated for selective reductive formylation of quinoline to N-formyl-tetrahydroquinoline and nitroarenes to N-formyl anilides via aqueous formic acid (FA)-mediated catalytic transformation. FA dissociated on the catalyst surface and acted as a hydrogenating and formylating source for selective N-formylation of N-heteroarenes. The carbonized catalyst prepared at 700 °C offered the best activity. A 92 % yield of N-formyl-tetrahydroquinoline after 14 h and >99 % yield for N-formyl anilide after 12 h at 160 °C were obtained. The excellent catalytic activity was correlated with the type of "N" species and the basicity of the catalyst. Density functional theory calculations revealed that a water-assisted FA decomposition pathway (deprotonation and dehydroxylation) generated the surface adsorbed -H and -HCOO species, required for the formation of N-formylated products. In addition, the selective formation of N-formyl-tetrahydroquinoline and N-formyl anilides was explained by a comprehensive reaction energetics analysis.


Subject(s)
Carbon , Chitosan , Water
12.
Anal Chem ; 94(34): 11898-11907, 2022 08 30.
Article in English | MEDLINE | ID: mdl-35980087

ABSTRACT

To date, no studies are available in which pituitary adenomas (PAs) have been studied using techniques like confocal Raman spectroscopy, attenuated total reflection-Fourier transform infrared (FT-IR), and liquid chromatography-tandem mass spectrometry (LC-MS/MS) in the same serum samples. To understand the metabolomics fingerprint, Raman spectra of 16 acromegaly, 19 Cushing's, and 33 nonfunctional PA (NFPA) and ATR-FTIR spectral acquisition of 16 acromegaly, 18 Cushing's, and 22 NFPA patient's serum samples were acquired. Next, Principal component-based linear discriminant analysis (PC-LDA) models were developed, Raman spectral analysis classified acromegaly with an accuracy of 79.17%, sensitivity of 75%, and specificity of 81.25%, Cushing's with an accuracy of 66.67%, sensitivity of 100%, and specificity of 52.63%, and NFPA with an accuracy of 73.17%, sensitivity of 75%, and specificity of 72.73%. ATR-FTIR spectral analysis classified acromegaly with an accuracy of 95.83%, sensitivity of 100%, and specificity of 93.75%, Cushing's with an accuracy of 65.38%, sensitivity of 87.5%, and specificity of 55.56%, and NFPA with an accuracy of 70%, sensitivity of 87.5%, and specificity of 43.75%. In either of the cases, healthy individual cohorts were clearly segregated from the disease cohort, which identified differential regulated regions of nucleic acids, lipids, amides, phosphates, and polysaccharide/C-C residue α helix regions. Furthermore, LC-MS/MS-based analysis of sera samples resulted in the identification of various sphingosine, lipids, acylcarnitines, amino acids, ethanolamine, choline, and their derivatives that differentially regulated in each tumor cohort. We believe cues obtained from the study may be used to generate the metabolite-based test to diagnose PAs from serum in addition to conventional techniques and also to understand disease biology for better disease management, point of care, and improving quality of life in PA patients.


Subject(s)
Acromegaly , Pituitary Neoplasms , Chromatography, Liquid , Humans , Lipids , Pituitary Neoplasms/diagnosis , Quality of Life , Spectroscopy, Fourier Transform Infrared/methods , Spectrum Analysis, Raman , Tandem Mass Spectrometry
13.
Proteomics Clin Appl ; 16(6): e2100111, 2022 11.
Article in English | MEDLINE | ID: mdl-35939377

ABSTRACT

PURPOSE: To identify the specific diagnostic biomarkers related to pituitary adenomas (PAs), we performed serological antibody profiles for three types of PAs, namely Acromegaly, Cushing's and Nonfunctional Pituitary Adenomas (NFPAs), using the human proteome (HuProt) microarray. This is the first study describing the serum autoantibody profile of PAs. EXPERIMENTAL DESIGN: We performed serological autoantibody profiling of four healthy controls, four Acromegaly, three Cushing's and three NFPAs patient samples to obtain their autoantibody profiles, which were used for studying expression, interaction and altered biological pathways. Further, significant autoantibodies of PAs were compared with data available for glioma, meningioma and AAgAtlas for their specificity. RESULTS: Autoantibody profile of PAs led to the identification of differentially expressed significant proteins such as AKNAD1 (AT-Hook Transcription Factor [AKNA] Domain Containing 1), NINJ1 (Nerve injury-induced protein 1), L3HYPDH (Trans-3-hydroxy-L-proline dehydratase), RHOG (Rho-related GTP-binding protein) and PTP4A1 (Protein Tyrosine Phosphatase Type IVA 1) in Acromegaly. Protein ABR (Active breakpoint cluster region-related protein), ST6GALNAC6 (ST6 N-acetylgalactosaminide alpha-2, 6-sialyltransferase 6), NOL3 (Nucleolar protein 3), ANXA8 (Annexin A8) and POLR2H (RNA polymerase II, I and III subunit H) showed an antigenic response in Cushing's patient's serum samples. Protein dipeptidyl peptidase 3 (DPP3) and reticulon-4 (RTN4) exhibited a very high antigenic response in NFPA patients. These proteins hold promise as potential autoantibody biomarkers in PAs.


Subject(s)
Acromegaly , Adenoma , Pituitary Neoplasms , Humans , Pituitary Neoplasms/genetics , Proteome , Adenoma/genetics , Autoantibodies , DNA-Binding Proteins , Nuclear Proteins , Transcription Factors , Nerve Growth Factors , Cell Adhesion Molecules, Neuronal
14.
Nanotechnology ; 33(32)2022 May 20.
Article in English | MEDLINE | ID: mdl-35395654

ABSTRACT

Internet of Things (IoT) is a trending technological field that converts any physical object into a communicable smarter one by converging the physical world with the digital world. This innovative technology connects the device to the internet and provides a platform to collect real-time data, cloud storage, and analyze the collected data to trigger smart actions from a remote location via remote notifications, etc. Because of its wide-ranging applications, this technology can be integrated into almost all the industries. Another trending field with tremendous opportunities is Nanotechnology, which provides many benefits in several areas of life, and helps to improve many technological and industrial sectors. So, integration of IoT and Nanotechnology can bring about the very important field of Internet of Nanothings (IoNT), which can re-shape the communication industry. For that, data (collected from trillions of nanosensors, connected to billions of devices) would be the 'ultimate truth', which could be generated from highly efficient nanosensors, fabricated from various novel nanomaterials, one of which is graphene, the so-called 'wonder material' of the 21st century. Therefore, graphene-assisted IoT/IoNT platforms may revolutionize the communication technologies around the globe. In this article, a status review of the smart applications of graphene in the IoT sector is presented. Firstly, various green synthesis of graphene for sustainable development is elucidated, followed by its applications in various nanosensors, detectors, actuators, memory, and nano-communication devices. Also, the future market prospects are discussed to converge various emerging concepts like machine learning, fog/edge computing, artificial intelligence, big data, and blockchain, with the graphene-assisted IoT field to bring about the concept of 'all-round connectivity in every sphere possible'.

15.
STAR Protoc ; 3(1): 101177, 2022 03 18.
Article in English | MEDLINE | ID: mdl-35233542

ABSTRACT

With new emerging SARS-CoV-2 strains and their increased pathogenicity, diagnosis has become more challenging. Molecular diagnosis often involves the use of nasopharyngeal swabs and subsequent real-time PCR-based tests. Although this test is the gold standard, it has several limitations; therefore, more complementary assays are required. This protocol describes how to identify SARS-CoV-2 protein from patients' nasopharyngeal swab samples. We first introduce the approach of label-free quantitative proteomics. We then detail target verification by triple quadrupole mass spectrometry (MS)-based targeted proteomics. For complete details on the use and execution of this profile, please refer to Bankar et al. (2021).


Subject(s)
COVID-19/metabolism , Nasopharynx/metabolism , Proteomics , SARS-CoV-2/metabolism , Specimen Handling , Tandem Mass Spectrometry , Viral Proteins/metabolism , Female , Humans , Male , Nasopharynx/virology
16.
Angew Chem Int Ed Engl ; 61(4): e202113841, 2022 01 21.
Article in English | MEDLINE | ID: mdl-34783154

ABSTRACT

Heterocycles are one of the largest groups of organic moieties with significant medicinal, chemical, and industrial applications. Herein, we report the discovery and development of visible-light-induced, synergistic excited-state copper catalysis using a combination of Cu(IPr)I as a catalyst and rac-BINAP as a ligand, which produces more than 10 distinct classes of heterocycles. The reaction tolerates a broad array of functional groups and complex molecular scaffolds, including derivatives of peptides, natural products, and marketed drugs. Preliminary mechanistic investigation suggests in situ generations of [Cu(BINAP)2 ]+ and [Cu(IPr)2 ]+ catalysts that work cooperatively under visible-light irradiation to facilitate catalytic carbo-aroylation of unactivated alkenes, affording a wide range of useful heterocycles.


Subject(s)
Copper/chemistry , Heterocyclic Compounds/chemical synthesis , Organometallic Compounds/chemistry , Catalysis , Heterocyclic Compounds/chemistry , Molecular Structure
17.
Anal Chem ; 93(30): 10391-10396, 2021 08 03.
Article in English | MEDLINE | ID: mdl-34279898

ABSTRACT

The coronavirus disease 2019 (COVID-19) pandemic continues to ravage the world, with many hospitals overwhelmed by the large number of patients presenting during major outbreaks. A rapid triage for COVID-19 patient requiring hospitalization and intensive care is urgently needed. Age and comorbidities have been associated with a higher risk of severe COVID-19 but are not sufficient to triage patients. Here, we investigated the potential of attenuated total reflectance Fourier-transform infrared (ATR-FTIR) spectroscopy as a rapid blood test for classification of COVID-19 disease severity using a cohort of 160 COVID-19 patients. A simple plasma processing and ATR-FTIR data acquisition procedure was established using 75% ethanol for viral inactivation. Next, partial least-squares-discriminant analysis (PLS-DA) models were developed and tested using data from 130 and 30 patients, respectively. Addition of the ATR-FTIR spectra to the clinical parameters (age, sex, diabetes mellitus, and hypertension) increased the area under the ROC curve (C-statistics) for both the training and test data sets, from 69.3% (95% CI 59.8-78.9%) to 85.7% (78.6-92.8%) and 77.8% (61.3-94.4%) to 85.1% (71.3-98.8%), respectively. The independent test set achieved 69.2% specificity (42.4-87.3%) and 94.1% sensitivity (73.0-99.0%). Diabetes mellitus was the strongest predictor in the model, followed by FTIR regions 1020-1090 and 1588-1592 cm-1. In summary, this study demonstrates the potential of ATR-FTIR spectroscopy as a rapid, low-cost COVID-19 severity triage tool to facilitate COVID-19 patient management during an outbreak.


Subject(s)
COVID-19 , Ataxia Telangiectasia Mutated Proteins , Discriminant Analysis , Humans , Least-Squares Analysis , SARS-CoV-2 , Spectroscopy, Fourier Transform Infrared
18.
Biochim Biophys Acta Proteins Proteom ; 1869(11): 140700, 2021 11.
Article in English | MEDLINE | ID: mdl-34303023

ABSTRACT

Pituitary adenoma is considered as one of the most frequent intracranial tumors having salient impact on human health such as mass effects, hypopituitarism and visual defects etc. During the past few decades, there has been enormous advancement in mass spectrometry (MS)-based proteomics. However, very little is known about the molecular pathogenesis of pituitary adenomas in the context of proteomics. In this review article, we have focused on the provenance of pituitary tumors and their pathogenesis with the help of MS-based proteomics approaches. Recent advancements in quantitative proteomic approaches are outlined here that would be useful in the near pituitary adenoma proteomics research. This review discusses the enormous potential of pituitary adenomas research through proteomics with a common aim of deciphering disease pathobiology and identifying the work done in studying pituitary tumors during past decade.


Subject(s)
Adenoma/metabolism , Pituitary Neoplasms/metabolism , Proteomics/methods , Biomarkers, Tumor/chemistry , Biomarkers, Tumor/metabolism , Humans , Mass Spectrometry/methods
19.
ACS Appl Mater Interfaces ; 13(24): 28201-28213, 2021 Jun 23.
Article in English | MEDLINE | ID: mdl-34120441

ABSTRACT

Stable catalyst development for CO2 hydrogenation to methanol is a challenge in catalysis. In this study, indium (In)-promoted Cu nanoparticles supported on nanocrystalline CeO2 catalysts were prepared and explored for methanol production from CO2. In-promoted Cu catalysts with ∼1 wt % In loading showed a methanol production rate of 0.016 mol gCu-1 h-1 with 95% methanol selectivity and no loss of activity for 100 h. It is found that the addition of indium remarkably increases Cu dispersion and decreases Cu particle size. In addition led to an increased metal-support interaction, which stabilizes Cu particles against sintering during the reaction, leading to high stability and activity. In addition, density functional theory calculations suggested that the reaction is proceeding via reverse water gas shift (RWGS) mechanism where the presence of In stabilized intermediate species and lowered CO2 activation energy barriers.

20.
Methods Mol Biol ; 2344: 191-208, 2021.
Article in English | MEDLINE | ID: mdl-34115361

ABSTRACT

Protein microarrays are a diverse and high-throughput platform for screening biomolecular interactions, autoantigens, and protein expression profiles across tissues, etc. Autoantibodies produced against aberrant protein expression are often observed in malignancies which makes protein microarrays a powerful platform to elucidate biomarkers of translational interest. Early diagnosis of malignancies is an enduring clinical problem that has a direct impact on disease prognosis. Here, we provide an overview of a method employed to screen autoantibodies using patient sera in brain tumors. In case of brain malignancies, early diagnosis is particularly challenging and often requires highly invasive brain biopsies as a confirmatory test. This chapter summarizes the various considerations for applying a serum-based autoantibody biomarker discovery pipeline that could provide a minimally invasive initial diagnostic screen, potentiating classical diagnostic approaches.


Subject(s)
Autoantibodies/blood , Biomarkers, Tumor/blood , Brain Neoplasms/diagnosis , High-Throughput Screening Assays , Protein Array Analysis , Brain Neoplasms/blood , Humans , Prognosis
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