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Article ; Online: Trifluoromethyl-β-dicarbonyls as Versatile Synthons in Synthesis of Heterocycles.

Sumran, Garima / Jain, Naman / Kumar, Prince / Aggarwal, Ranjana

Chemistry (Weinheim an der Bergstrasse, Germany)

2024 Volume 30, Issue 11, Page(s) e202303599

Abstract: Trifluoromethyl group relishes a privileged position in the realm of medicinal chemistry because its incorporation into organic molecules often enhances the bioactivity by altering pharmacological profile of molecule. Trifluoromethyl-β-dicarbonyls have ... ...

Abstract	Trifluoromethyl group relishes a privileged position in the realm of medicinal chemistry because its incorporation into organic molecules often enhances the bioactivity by altering pharmacological profile of molecule. Trifluoromethyl-β-dicarbonyls have emerged as pivotal building blocks in synthetic organic chemistry due to their facile accessibility, stability and remarkable versatility. Owing to presence of nucleophilic and electrophilic sites, they offer multifunctional sites for the reaction. This review covers a meticulous exploration of their multifaceted role, encompassing an in-depth analysis of mechanism, extensive scope, limitations and wide-ranging applications in diverse organic synthesis, covering the literature from the 21
Language	English
Publishing date	2024-01-04
Publishing country	Germany
Document type	Journal Article ; Review
ZDB-ID	1478547-X
ISSN	1521-3765 ; 0947-6539
ISSN (online)	1521-3765
ISSN	0947-6539
DOI	10.1002/chem.202303599
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Serum Resistin as a Potential Mortality Predictor in Neonatal Sepsis.

Jain, Rashika / Acharya, Rohan / Kumud / Bhalla, Kapil / Yadav, Dinkar / Jain, Naman / Jakhar, Sunisha

Cureus

2024 Volume 16, Issue 2, Page(s) e55289

Abstract: Aim The aim of this study was to investigate the utility of serum resistin levels as a prognostic indicator for mortality in neonates diagnosed with sepsis. Methodology This one-year prospective study at Pandit Bhagwat Dayal Sharma Post Graduate ... ...

Abstract	Aim The aim of this study was to investigate the utility of serum resistin levels as a prognostic indicator for mortality in neonates diagnosed with sepsis. Methodology This one-year prospective study at Pandit Bhagwat Dayal Sharma Post Graduate Institute of Medical Sciences (PGIMS), Rohtak, India, included 151 neonates categorized into two groups based on blood culture results: group 1 (n=86) included those with culture-negative, probable sepsis and group 2 (n=65) included those with culture-positive, proven sepsis. Blood samples obtained pre-treatment underwent comprehensive analysis, including complete blood count, C-reactive protein assessment, micro-erythrocyte sedimentation rate, and resistin level measurement via enzyme-linked immunosorbent assay. The comparison between groups was conducted using either the Student t-test or the Mann-Whitney U test, while correlations were assessed using the Spearman correlation. These analyses were employed to identify the optimal resistin cut-off for distinguishing patients with sepsis. A p-value of <0.05 was considered statistically significant. Results This study with 151 neonates diagnosed with sepsis found a significant association (p < 0.05) between elevated serum resistin levels and increased mortality risk. Multivariate analysis confirmed an independent predictive role of resistin. Elevated resistin levels correlate with higher chances of requiring mechanical ventilation and prolonged hospital stays. These findings highlight serum resistin's potential as a prognostic tool for the early identification of high-risk neonatal sepsis patients. Conclusion This study highlights the link between elevated serum resistin levels and increased mortality risk in neonatal sepsis, supported by strong multivariate analysis, indicating an independent predictive role. Additionally, resistin correlates with higher chances of mechanical ventilation and prolonged hospitalization, suggesting its potential as a prognostic marker for early identification of high-risk neonatal sepsis cases.
Language	English
Publishing date	2024-02-29
Publishing country	United States
Document type	Journal Article
ZDB-ID	2747273-5
ISSN	2168-8184
ISSN	2168-8184
DOI	10.7759/cureus.55289
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Article ; Online: Visible Light-Prompted Regioselective Synthesis of Novel 5-Aroyl/hetaroyl-2',4-dimethyl-2,4'-bithiazoles as DNA- and BSA-Targeting Agents.

Aggarwal, Ranjana / Jain, Naman / Dubey, Gyan Prakash / Singh, Snigdha / Chandra, Ramesh

Biomacromolecules

2023 Volume 24, Issue 11, Page(s) 4798–4818

Abstract: Organic transformations mediated by visible light have gained popularity in recent years as they are green, renewable, inexpensive, and clean and yield excellent products. The present study describes cyclo-condensation of 2-methylthiazole-4- ... ...

Abstract	Organic transformations mediated by visible light have gained popularity in recent years as they are green, renewable, inexpensive, and clean and yield excellent products. The present study describes cyclo-condensation of 2-methylthiazole-4-carbothioamide with differently substituted α-bromo-1,3-diketones achieved by utilizing a white light-emitting diode (LED) (9W) to accomplish the regioselective synthesis of novel 5-aroyl/hetaroyl-2',4-dimethyl-2,4'-bithiazole derivatives as DNA/bovine serum albumin (BSA)-targeting agents. The structure characterization of the exact regioisomer was achieved unequivocally by heteronuclear two-dimensional nuclear magnetic resonance (2D-NMR) spectroscopy [
MeSH term(s)	Binding Sites ; Serum Albumin, Bovine/chemistry ; Molecular Docking Simulation ; Spectrometry, Fluorescence ; Protein Binding ; DNA/chemistry ; Circular Dichroism ; Thermodynamics ; Spectrophotometry, Ultraviolet
Chemical Substances	Serum Albumin, Bovine (27432CM55Q) ; DNA (9007-49-2)
Language	English
Publishing date	2023-09-20
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ISSN	1526-4602
ISSN (online)	1526-4602
DOI	10.1021/acs.biomac.3c00554
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: An Explicative Review on the Progress of Quinazoline Scaffold as Bioactive Agents in the Past Decade.

Jain, Naman / Goel, Tanvi / Thakar, Snehal / Jadhav, Madhav / Bansode, Deepali

Medicinal chemistry (Shariqah (United Arab Emirates))

2022 Volume 19, Issue 3, Page(s) 211–245

Abstract: In the last decade, quinazoline has been one of the most explored scaffolds by researchers around the globe in medicinal chemistry. Its unique structural features provide a wide range of substitutions for nitrogen and carbonyl groups. In the current ... ...

Abstract	In the last decade, quinazoline has been one of the most explored scaffolds by researchers around the globe in medicinal chemistry. Its unique structural features provide a wide range of substitutions for nitrogen and carbonyl groups. In the current situation of COVID-19, hydroxychloroquine, an antimalarial drug of the quinoline category, was used for the treatment of severe infections. Various substitution patterns, hybrids, and conjugates of quinazoline have been developed and studied for various pharmacological activities like anticancer, anti-inflammatory, antimalarial, antitubercular, etc. The scaffold can be considered a potential molecule for various pharmacological activities, especially antimicrobial and anti-hypertensive. This review article aims to study the physicochemical properties, chemistry, and pharmacological profile of quinazoline.
MeSH term(s)	Humans ; Quinazolines/pharmacology ; Quinazolines/chemistry ; COVID-19 ; Anti-Inflammatory Agents/chemistry ; Anti-Infective Agents/chemistry ; Antimalarials/pharmacology ; Antineoplastic Agents/chemistry
Chemical Substances	Quinazolines ; Anti-Inflammatory Agents ; Anti-Infective Agents ; Antimalarials ; Antineoplastic Agents
Language	English
Publishing date	2022-06-03
Publishing country	Netherlands
Document type	Review ; Journal Article
ISSN	1875-6638
ISSN (online)	1875-6638
DOI	10.2174/1573406418666220606093202
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Uncommon presentation of granulomatosis with polyangiitis: Prostate involvement.

Jain, Naman / Roy, Debaditya / Mysore, Satyanarayana / Negigowdru, Manjunath M / Rao, Vijay K R

International journal of rheumatic diseases

2023 Volume 27, Issue 1, Page(s) e14831

Abstract: Granulomatosis with polyangiitis (GPA) is an autoimmune granulomatous disease of unknown etiology; frequently associated with anti-proteinase 3 antineutrophil cytoplasmic antibody (PR3-ANCA). Although any organ can be involved, prostatic involvement in ... ...

Abstract	Granulomatosis with polyangiitis (GPA) is an autoimmune granulomatous disease of unknown etiology; frequently associated with anti-proteinase 3 antineutrophil cytoplasmic antibody (PR3-ANCA). Although any organ can be involved, prostatic involvement in GPA is very rare. We present a male patient with GPA, 26 years old, with pulmonary manifestations and prostatic involvement who underwent exhaustive evaluation. The patient's laboratory tests and imaging scans showed evidence of lesions in multiple areas, including the prostate. Histopathological testing confirmed that the lesions were consistent with granulomatosis with polyangiitis. The patient was treated with oral steroids and rituximab and showed significant improvement. He was later maintained on azathioprine without any relapse.
MeSH term(s)	Humans ; Male ; Adult ; Granulomatosis with Polyangiitis/complications ; Granulomatosis with Polyangiitis/diagnosis ; Granulomatosis with Polyangiitis/drug therapy ; Prostate/diagnostic imaging ; Prostate/pathology ; Rituximab/therapeutic use ; Myeloblastin ; Antibodies, Antineutrophil Cytoplasmic
Chemical Substances	Rituximab (4F4X42SYQ6) ; Myeloblastin (EC 3.4.21.76) ; Antibodies, Antineutrophil Cytoplasmic
Language	English
Publishing date	2023-07-09
Publishing country	England
Document type	Case Reports
ZDB-ID	2426924-4
ISSN	1756-185X ; 1756-1841
ISSN (online)	1756-185X
ISSN	1756-1841
DOI	10.1111/1756-185X.14831
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Book ; Online: TweetPap

Jain, Naman / Singh, Mayank

A Dataset to Study the Social Media Discourse of Scientific Papers

2021

Abstract: Nowadays, researchers have moved to platforms like Twitter to spread information about their ideas and empirical evidence. Recent studies have shown that social media affects the scientific impact of a paper. However, these studies only utilize the tweet ...

Abstract	Nowadays, researchers have moved to platforms like Twitter to spread information about their ideas and empirical evidence. Recent studies have shown that social media affects the scientific impact of a paper. However, these studies only utilize the tweet counts to represent Twitter activity. In this paper, we propose TweetPap, a large-scale dataset that introduces temporal information of citation/tweets and the metadata of the tweets to quantify and understand the discourse of scientific papers on social media. The dataset is publicly available at https://github.com/lingo-iitgn/TweetPap Comment: 2 Pages, JCDL 2021
Keywords	Computer Science - Digital Libraries ; Computer Science - Social and Information Networks
Publishing date	2021-06-14
Publishing country	us
Document type	Book ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article: Effectiveness of "Resuscitation Cover All" in Minimizing COVID-19 Transmission to Health-Care Workers during Cardiopulmonary Resuscitation.

Raju, K N J Prakash / Ayyan, S Manu / Anandhi, D / Jain, Naman / Ganessane, Ezhilkugan

Journal of global infectious diseases

2022 Volume 14, Issue 1, Page(s) 3–9

Abstract: Introduction: Coronavirus disease 2019 (COVID-19) is a highly contagious disease transmitted by contact, droplets, and aerosols. Front line health-care workers (HCWs), particularly emergency physicians and acute care providers, are vulnerable to being ... ...

Abstract	Introduction: Coronavirus disease 2019 (COVID-19) is a highly contagious disease transmitted by contact, droplets, and aerosols. Front line health-care workers (HCWs), particularly emergency physicians and acute care providers, are vulnerable to being exposed while treating their sick patients. Despite appropriate personal protective equipment use, HCW gets infected, suggesting the need for multiple layers of protection such as barrier devices. Methods: We aimed to determine the effectiveness of our novel "Resuscitation Cover All"(RCA) in reducing the exposure of HCW to simulated respiratory particles and its feasibility during cardio pulmonary resuscitation (CPR). This was a pilot simulation-based study. Five CPR simulation sessions were performed in Standard and RCA protocols, individually. Exposures through contact, droplets, and aerosols were simulated using a standardized volume of liquid detergent. Under Wood's lamp illumination, exposures of participants were compared between the protocols. Rate and depth of chest compressions, time taken to intubate, interruptions in CPR, and first-pass success were analyzed. Results: Overall mean exposure in standard protocol was 4950.4 ± 1461.6 (95%confidence interval [CI]:3135.7-6765.2) sq.pixels and RCA protocol was 2203.6 ± 1499.0 (95%CI: 342.4-4064.9) sq.pixels ( Conclusion: This pilot simulation-based study shows that the novel RCA device could minimize the exposure of HCW to simulated respiratory particles during CPR. Also, it might not alter the high-quality CPR performance metrics. We need more real-life evidence.
Language	English
Publishing date	2022-02-16
Publishing country	India
Document type	Journal Article
ZDB-ID	2545454-7
ISSN	0974-8245 ; 0974-777X
ISSN (online)	0974-8245
ISSN	0974-777X
DOI	10.4103/jgid.jgid_182_21
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Visible-Light-Prompted Synthesis and Binding Studies of 5,6-Dihydroimidazo[2,1-b]thiazoles with BSA and DNA Using Biophysical and Computational Methods

Aggarwal, Ranjana / Hooda, Mona / Kumar, Prince / Jain, Naman / Dubey, Gyan Prakash / Chugh, Heerak / Chandra, Ramesh

Journal of organic chemistry. 2022 Mar. 02, v. 87, no. 6

2022

Abstract: Fused heterocyclic systems containing a bridgehead nitrogen atom have emerged as imperative pharmacophores in the design and development of new drugs. Among these heterocyclic moieties, the imidazothiazole scaffold has long been used in medicinal ... ...

Abstract	Fused heterocyclic systems containing a bridgehead nitrogen atom have emerged as imperative pharmacophores in the design and development of new drugs. Among these heterocyclic moieties, the imidazothiazole scaffold has long been used in medicinal chemistry for the treatment of various diseases. In this study, we have established a simplistic and environmentally safe regioselective protocol for the synthesis of 5,6-dihydroimidazo[2,1-b]thiazole derivatives from easily available reactants. The reaction proceeds through in situ formation of the α-bromodiketones ensuing trap with imidazolidine-2-thione to provide these versatile bicyclic heterocycles in excellent yields. The synthesized compounds were screened through the molecular docking approach for the most stable complex formation with bovine serum albumin (BSA) and calf thymus deoxyribonucleic acid (ctDNA). The selected compound was further studied using ex vivo binding studies, which revealed moderate interactions with BSA and ctDNA. The binding studies were performed using biophysical approaches including UV–visible spectroscopy, steady-state fluorescence, circular dichroism (CD), and viscosity parameters.
Keywords	DNA ; bovine serum albumin ; calves ; circular dichroism spectroscopy ; fluorescence ; heterocyclic compounds ; nitrogen ; organic chemistry ; pharmacology ; regioselectivity ; thiazoles ; ultraviolet-visible spectroscopy ; viscosity
Language	English
Dates of publication	2022-0302
Size	p. 3952-3966.
Publishing place	American Chemical Society
Document type	Article
ZDB-ID	123490-0
ISSN	1520-6904 ; 0022-3263
ISSN (online)	1520-6904
ISSN	0022-3263
DOI	10.1021/acs.joc.1c02471
Database	NAL-Catalogue (AGRICOLA)

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Book ; Online: Learning Accurate Decision Trees with Bandit Feedback via Quantized Gradient Descent

Karthikeyan, Ajaykrishna / Jain, Naman / Natarajan, Nagarajan / Jain, Prateek

2021

Abstract: Decision trees provide a rich family of highly non-linear but efficient models, due to which they continue to be the go-to family of predictive models by practitioners across domains. But learning trees is challenging due to their discrete decision ... ...

Abstract	Decision trees provide a rich family of highly non-linear but efficient models, due to which they continue to be the go-to family of predictive models by practitioners across domains. But learning trees is challenging due to their discrete decision boundaries. The state-of-the-art (SOTA) techniques resort to (a) learning soft trees thereby losing logarithmic inference time; or (b) using methods tailored to specific supervised learning settings, requiring access to labeled examples and loss function. In this work, by leveraging techniques like overparameterization and straight-through estimators, we propose a novel method that enables accurate end-to-end gradient based tree training and can be deployed in a variety of settings like offline supervised learning and online learning with bandit feedback. Using extensive validation on standard benchmarks, we demonstrate that our method provides best of both worlds, i.e., it is competitive to, and in some cases more accurate than methods designed specifically for the supervised settings; and in bandit settings, where most existing tree learning techniques are not applicable, our models are still accurate and significantly outperform the applicable SOTA methods.
Keywords	Computer Science - Machine Learning
Subject code	006
Publishing date	2021-02-15
Publishing country	us
Document type	Book ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Book ; Online: LLM-Assisted Code Cleaning For Training Accurate Code Generators

Jain, Naman / Zhang, Tianjun / Chiang, Wei-Lin / Gonzalez, Joseph E. / Sen, Koushik / Stoica, Ion

2023

Abstract: Natural language to code generation is an important application area of LLMs and has received wide attention from the community. The majority of relevant studies have exclusively concentrated on increasing the quantity and functional correctness of ... ...

Abstract	Natural language to code generation is an important application area of LLMs and has received wide attention from the community. The majority of relevant studies have exclusively concentrated on increasing the quantity and functional correctness of training sets while disregarding other stylistic elements of programs. More recently, data quality has garnered a lot of interest and multiple works have showcased its importance for improving performance. In this work, we investigate data quality for code and find that making the code more structured and readable leads to improved code generation performance of the system. We build a novel data-cleaning pipeline that uses these principles to transform existing programs by 1.) renaming variables, 2.) modularizing and decomposing complex code into smaller helper sub-functions, and 3.) inserting natural-language based plans via LLM based transformations. We evaluate our approach on two challenging algorithmic code generation benchmarks and find that fine-tuning CodeLLaMa-7B on our transformed modularized programs improves the performance by up to 30% compared to fine-tuning on the original dataset. Additionally, we demonstrate improved performance from using a smaller amount of higher-quality data, finding that a model fine-tuned on the entire original dataset is outperformed by a model trained on 15% of our cleaned dataset. Even in comparison to closed-source models, our models outperform the much larger AlphaCoder models.
Keywords	Computer Science - Machine Learning ; Computer Science - Software Engineering
Subject code	005
Publishing date	2023-11-24
Publishing country	us
Document type	Book ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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