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Article ; Online: Enhancing the performance of BN nanosheets as promising anode material for Li-ion batteries with carbon-doping.

Tyagi, Neha / Jaiswal, Neeraj K

Journal of molecular graphics & modelling

2022 Volume 115, Page(s) 108213

Abstract: Li-ion batteries (LIB) are an integral part of portable electronic gadgets. Enhancing the performance of LIB is an active area of research. Here, we investigated the lithiation properties of pure and C-doped BN (BCN) nanosheets using density functional ... ...

Abstract	Li-ion batteries (LIB) are an integral part of portable electronic gadgets. Enhancing the performance of LIB is an active area of research. Here, we investigated the lithiation properties of pure and C-doped BN (BCN) nanosheets using density functional theory. Our calculations show that adsorption energy (E
Language	English
Publishing date	2022-05-12
Publishing country	United States
Document type	Journal Article
ZDB-ID	1396450-1
ISSN	1873-4243 ; 1093-3263
ISSN (online)	1873-4243
ISSN	1093-3263
DOI	10.1016/j.jmgm.2022.108213
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Article ; Online: Hypothesizing the Green Synthesis of Tamoxifen Loaded Magnetic Nanoparticles for the Treatment of Breast Cancer.

Tyagi, Neha / Ralli, Tanya / Ali, Asgar / Kohli, Kanchan

Current molecular medicine

2023 Volume 24, Issue 5, Page(s) 537–546

Abstract: Breast cancer is the second leading cause of death all over the world and is not only limited to females but also affects males. For estrogen receptor-positive breast cancer, tamoxifen has been considered the gold-line therapy for many decades. However, ... ...

Abstract	Breast cancer is the second leading cause of death all over the world and is not only limited to females but also affects males. For estrogen receptor-positive breast cancer, tamoxifen has been considered the gold-line therapy for many decades. However, due to the side effects associated with the use of tamoxifen, its use is only limited to individuals in high-risk groups and limits its clinical application to moderate and/or lower-risk groups. Thus, there is a necessity to decrease the dose of tamoxifen, which can be achieved by targeting the drug to breast cancer cells and limiting its absorption to other body parts. Artificial antioxidants used in the formulation preparation are assumed to upsurge the risk of cancer and liver damage in humans. The need of the hour is to explore bioefficient antioxidants from natural plant sources as they are safer and additionally possess antiviral, anti-inflammatory, and anticancer properties. The objective of this hypothesis is to prepare tamoxifen-loaded PEGylated NiO nanoparticles using green chemistry, tumbling the toxic effects of the conventional method of synthesis for targeted delivery to breast cancer cells. The significance of the work is to hypothesize a green method for the synthesis of NiO nanoparticles that are eco-friendly, cost-effective, decrease multidrug resistance, and can be used for targeted therapy. Garlic extract contains an organosulfur compound (Allicin) which has drug-metabolizing, anti-oxidant, and tumour growth inhibition effects. In breast cancer, allicin sensitizes estrogen receptors, increasing the anticancer efficacy of tamoxifen and reducing offsite toxicity. Thus, this garlic extract would act as a reducing agent and a capping agent. The use of nickel salt can help in targeted delivery to breast cancer cells and, in turn, reduces drug toxicity in different organs. This novel strategy may aim for cancer management with less toxic agents acting as an apt therapeutic modality.
MeSH term(s)	Tamoxifen/pharmacology ; Tamoxifen/chemistry ; Humans ; Breast Neoplasms/drug therapy ; Breast Neoplasms/pathology ; Breast Neoplasms/metabolism ; Female ; Magnetite Nanoparticles/chemistry ; Green Chemistry Technology ; Antineoplastic Agents, Hormonal/pharmacology ; Antineoplastic Agents, Hormonal/chemistry ; Antineoplastic Agents, Hormonal/therapeutic use
Chemical Substances	Tamoxifen (094ZI81Y45) ; Magnetite Nanoparticles ; Antineoplastic Agents, Hormonal
Language	English
Publishing date	2023-05-22
Publishing country	Netherlands
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2064873-X
ISSN	1875-5666 ; 1566-5240
ISSN (online)	1875-5666
ISSN	1566-5240
DOI	10.2174/1566524023666230525104730
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Article ; Online: Publisher's Note: "The relaxation dynamics of single flow-stretched polymers in semidilute to concentrated solutions" [J. Chem. Phys. 154, 024907 (2021)].

Tyagi, Neha / Cherayil, Binny J

The Journal of chemical physics

2021 Volume 154, Issue 11, Page(s) 119901

Language	English
Publishing date	2021-03-22
Publishing country	United States
Document type	Published Erratum
ZDB-ID	3113-6
ISSN	1089-7690 ; 0021-9606
ISSN (online)	1089-7690
ISSN	0021-9606
DOI	10.1063/5.0044138
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Article ; Online: The relaxation dynamics of single flow-stretched polymers in semidilute to concentrated solutions.

Tyagi, Neha / Cherayil, Binny J

The Journal of chemical physics

2021 Volume 154, Issue 2, Page(s) 24907

Abstract: Recent experiments on the return to equilibrium of solutions of entangled polymers stretched by extensional flows [Zhou and Schroeder, Phys. Rev. Lett. 120, 267801 (2018)] have highlighted the possible role of the tube model's two-step mechanism in the ... ...

Abstract	Recent experiments on the return to equilibrium of solutions of entangled polymers stretched by extensional flows [Zhou and Schroeder, Phys. Rev. Lett. 120, 267801 (2018)] have highlighted the possible role of the tube model's two-step mechanism in the process of chain relaxation. In this paper, motivated by these findings, we use a generalized Langevin equation (GLE) to study the time evolution, under linear mixed flow, of the linear dimensions of a single finitely extensible Rouse polymer in a solution of other polymers. Approximating the memory function of the GLE, which contains the details of the interactions of the Rouse polymer with its surroundings, by a power law defined by two parameters, we show that the decay of the chain's fractional extension in the steady state can be expressed in terms of a linear combination of Mittag-Leffler and generalized Mittag-Leffler functions. For the special cases of elongational flow and steady shear flow, and after adjustment of the parameters in the memory function, our calculated decay curves provide satisfactory fits to the experimental decay curves from the work of Zhou and Schroeder and earlier work of Teixeira et al. [Macromolecules 40, 2461 (2007)]. The non-exponential character of the Mittag-Leffler functions and the consequent absence of characteristic decay constants suggest that melt relaxation may proceed by a sequence of steps with an essentially continuous, rather than discrete, spectrum of timescales.
Language	English
Publishing date	2021-01-14
Publishing country	United States
Document type	Journal Article
ZDB-ID	3113-6
ISSN	1089-7690 ; 0021-9606
ISSN (online)	1089-7690
ISSN	0021-9606
DOI	10.1063/5.0037513
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Article ; Online: Scrotal plaques as a predominant presentation in a case of secondary syphilis.

Bains, Anupama / Tyagi, Neha

Indian journal of dermatology, venereology and leprology

2021 Volume 87, Issue 2, Page(s) 252–254

MeSH term(s)	Adult ; Anti-Bacterial Agents/pharmacology ; Anti-Bacterial Agents/therapeutic use ; Diagnosis, Differential ; Humans ; Male ; Penicillin G Benzathine/pharmacology ; Penicillin G Benzathine/therapeutic use ; Scrotum/drug effects ; Scrotum/pathology ; Syphilis/diagnosis ; Syphilis/drug therapy
Chemical Substances	Anti-Bacterial Agents ; Penicillin G Benzathine (RIT82F58GK)
Language	English
Publishing date	2021-03-26
Publishing country	United States
Document type	Case Reports ; Letter
ZDB-ID	416068-x
ISSN	0973-3922 ; 0019-5162 ; 0378-6323
ISSN (online)	0973-3922
ISSN	0019-5162 ; 0378-6323
DOI	10.25259/IJDVL_234_20
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Thesis ; Online: Resilient TDMA-based Communication Algorithm for Dynamic Ad-hoc Networks and Formal Verification

Tyagi, Neha

2018

Abstract: In recent years, within the broad context of mobile communication systems, a significant research has been evolved in the study of wireless ad-hoc networks. Due to the self-organizing nature of these networks, efficient delivery of data packets to the ... ...

Abstract	In recent years, within the broad context of mobile communication systems, a significant research has been evolved in the study of wireless ad-hoc networks. Due to the self-organizing nature of these networks, efficient delivery of data packets to the mobile nodes, where the topology is neither pre-determined nor does the network have central control, many problems arise in order to ensure a persistent communication. Packet loss in a multi-hop network is a major concern for ad-hoc distributed networks based systems. MAC layer contention is much more severe in multihop ad hoc networks as compared to wireless LANs. To mitigate this problem, we present a distributed, TDMA and slotted ALOHA protocol based communication approach for mobile robots in ad-hoc networks. Our work focuses on real time communication in a dynamic network where nodes can leave and join the network anytime. In this thesis, we propose an algorithm to establish self-sustaining communication among nodes. In our system processes become aware of their surrounding using slotted ALOHA protocol. Our system ensures self-stability by detecting lost messages and reset the system to ALOHA. Subsequently the system initiates the communication process again. Our work shows that with combined ALOHA and TDMA protocol, a resilient and robust communication is achievable, where the packet loss is minimum. Our work also shows that self sustaining distributed communication is possible with minimum transitions to the different communication states, such as ALOHA to TDMA. This thesis demonstrates a successful communication process among mobile robotic nodes using our proposed algorithm. In this thesis, we also define the safety, liveness, and fairness properties using linear time logic (LTL) to verify the correctness of the proposed algorithm. We have defined these properties for our algorithm. We then verify the system for these properties under error prone conditions such as message loss, along with this we also make sure that our algorithm follows a fair approach of resource allocation and never end in an undesirable state. We have modeled our communication algorithm using SPIN model checker. SPIN is based on PROMELA language and provides an extensive user interface to define the model and verify the properties using Formal Methods of Verification.
Keywords	Computer science
Subject code	000
Language	ENG
Publishing date	2018-01-01 00:00:01.0
Publisher	California State University, Long Beach
Publishing country	us
Document type	Thesis ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Using QMRA to understand possible exposure risks of SARS-CoV-2 from the water environment

Tyagi, Neha / Gurian, Patrick L. / Kumar, Arun

Environ Sci Pollut Res. 2022 Jan., v. 29, no. 5 p.7240-7253

2022

Abstract: This study investigated the human risk of infection due to inadvertent ingestion of water during swimming in a river that receives SARS-CoV-2-containing effluent from a wastewater treatment plant (WWTP). A quantitative microbial risk assessment (QMRA) ... ...

Abstract	This study investigated the human risk of infection due to inadvertent ingestion of water during swimming in a river that receives SARS-CoV-2-containing effluent from a wastewater treatment plant (WWTP). A quantitative microbial risk assessment (QMRA) approach was applied for risk estimation using dose-response models (DRM) of different surrogate coronaviruses (SARS-CoV-1, MERS-CoV) and the virus responsible for most infectious respiratory illnesses (i.e., influenza A H5N1) due to the unavailability of DRM for SARS-CoV-2. The ratio of infectious concentration to genomic copies of SARS-CoV-2 is unknown and also unavailable for other coronaviruses. Therefore, literature-based information on enteric viruses was used for formulating the ratio used for QMRA, although it is acknowledged that identifying this information for SARS-CoV-2 is a priority, and in the absence of information specific to SARS-CoV-2, another coronavirus would be a preferable surrogate to the enteric viruses used here. The calculated concentration of ingested SARS-CoV-2 ranged between 4.6 × 10⁻⁷ and 80.5 genomic copies/dip (one swim = 32 mL). The risk of infection (> 9 × 10⁻¹² to 5.8 × 10⁻¹) was found to be > 1/10,000 annual risk of infection. Moreover, the study revealed that the risk estimation was largely dependent on the value of the molecular concentration of SARS-CoV-2 (gc/mL). Overall immediate attention is required for obtaining information on the (i) ratio of infectious virus to genomic copies, (ii) DRM for SARS-CoV-2, and (iii) virus reduction rate after treatment in the WWTPs. The QMRA structure used in present findings is helpful in analyzing and prioritizing upcoming health risks due to swimming performed in contaminated rivers during the COVID-19 outbreak.
Keywords	COVID-19 infection ; Severe acute respiratory syndrome coronavirus ; Severe acute respiratory syndrome coronavirus 2 ; dose response ; genomics ; humans ; influenza ; ingestion ; microbiological risk assessment ; risk ; risk estimate ; rivers ; viruses ; wastewater treatment
Language	English
Dates of publication	2022-01
Size	p. 7240-7253.
Publishing place	Springer Berlin Heidelberg
Document type	Article ; Online
ZDB-ID	1178791-0
ISSN	1614-7499 ; 0944-1344
ISSN (online)	1614-7499
ISSN	0944-1344
DOI	10.1007/s11356-021-16188-0
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Evaluation of recreational risks due to exposure of antibiotic-resistance bacteria from environmental water: A proposed framework.

Tyagi, Neha / Kumar, Arun

Journal of environmental management

2020 Volume 279, Page(s) 111626

Abstract: This research provides a framework for the human health risk assessment due to exposure of AR (antibiotic resistance) E. coli from recreational water (swimming activity). Literature-based epidemiological studies were used for f-value formulation (i.e., ... ...

Abstract	This research provides a framework for the human health risk assessment due to exposure of AR (antibiotic resistance) E. coli from recreational water (swimming activity). Literature-based epidemiological studies were used for f-value formulation (i.e., AR E. coli/total number of E. coli isolates) and the theoretical calculation of AR and non-AR E. coli concentrations. Risk was estimated using calculated values by considering four different dose-response (D-R) scenarios with known characteristics due to current lack of availability of D-R for AR bacteria. f-values ranged between 0.14 and 0.59 and the order of calculated theoretical values of maximum AR E. coli are as follows: ampicillin or amoxicillin (38 CFU/dip) > co-trimoxazole (19 CFU/dip) ~ tetracycline (18 CFU/dip) > ceftriaxone or cefotaxime or ceftazidime (10 CFU/dip) ~ ciprofloxacin or ofloxacin (9 CFU/dip). The risk of infection was considerably high for theoretical calculated concentration values regardless of the chosen D-R model (annual risk of infection (95th percentile) = 1, Spearman's rank correlation coefficient = -0.06 to 0.94), under the conditions studied. Further, AR levels of human gastrointestinal-tract were determined using literature-reported data in stool samples and indicated that the resistance level was very high in healthy human (range: 3.7 × 10
MeSH term(s)	Angiotensin Receptor Antagonists ; Angiotensin-Converting Enzyme Inhibitors ; Anti-Bacterial Agents/pharmacology ; Bacteria ; Drug Resistance, Bacterial ; Escherichia coli ; Humans ; Water
Chemical Substances	Angiotensin Receptor Antagonists ; Angiotensin-Converting Enzyme Inhibitors ; Anti-Bacterial Agents ; Water (059QF0KO0R)
Language	English
Publishing date	2020-11-23
Publishing country	England
Document type	Journal Article
ZDB-ID	184882-3
ISSN	1095-8630 ; 0301-4797
ISSN (online)	1095-8630
ISSN	0301-4797
DOI	10.1016/j.jenvman.2020.111626
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Article: Understanding effect of interaction of nanoparticles and antibiotics on bacteria survival under aquatic conditions: Knowns and unknowns

Tyagi, Neha / Kumar, Arun

Environmental research. 2020 Feb., v. 181

2020

Abstract: The review provides a comprehensive overview of the available state-of-the-art of nanoparticles (NPs) and antibiotics (ABs) occurrence and their fate in the natural aquatic settings by addressing different research questions and the challenges faced ... ...

Abstract	The review provides a comprehensive overview of the available state-of-the-art of nanoparticles (NPs) and antibiotics (ABs) occurrence and their fate in the natural aquatic settings by addressing different research questions and the challenges faced while addressing those questions. Firstly, understand the interaction of NPs and ABs with themselves in addition to other matrix components (presence of natural organic matter, bacteria, biofilms, other anthropogenic pollutants and metals from natural sources). Secondly, summarize the bactericidal activity of NP and AB due to reactive oxygen species (ROS) production. The complete information was gathered from database and analysed as per the conjectured questions under laboratory versus environmental-relevant conditions (1. Fate of NPs and ABs, and 2. Will the presence of NPs and ABs alone and their mixtures influence the ROS concentration and antibacterial activity), and proposed six reactions to describe the fate of NP and AB in natural aquatic settings. However, laboratory-based studies revealed that NP and AB fate largely depend on the ionic strength, organic matter content and pH of the matrix whereas field based information is missing about this. The former was performed at sterile conditions using sophisticated instruments and standard protocol as compared to latter and can't be replicated under natural aquatic settings due to lack of: (i) accurate environmental concentration of NPs and ABs, (ii) knowledge of bacterial type and their concentration, (iii) optimized protocol and tracking systems. The author's recommendation is to verify the proposed reactions experimentally by using the frequently found pairs of NPs and ABs in the natural aquatic settings. Further, ranked them on their decreasing order of toxicity and informed regulatory bodies for further action. Overall research is needed in the suggested directions to reduce uncertainty behind the impacts of NPs and ABs on the aquatic settings and their role in bactericidal activity.
Keywords	antibacterial properties ; antibiotics ; aseptic conditions ; bacteria ; biofilm ; databases ; ionic strength ; metals ; nanoparticles ; organic matter ; pH ; pollutants ; reactive oxygen species ; toxicity ; uncertainty
Language	English
Dates of publication	2020-02
Publishing place	Elsevier Inc.
Document type	Article
ZDB-ID	205699-9
ISSN	1096-0953 ; 0013-9351
ISSN (online)	1096-0953
ISSN	0013-9351
DOI	10.1016/j.envres.2019.108945
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Article ; Online: Heavy metals contamination in sediments of Bharalu river, Guwahati, Assam, India: A tributary of river Brahmaputra.

Bhuyan, Rajashree / Brahma, Pinki / Chabukdhara, Mayuri / Tyagi, Neha / Gupta, Sanjay Kumar / Malik, Tabarak

PloS one

2023 Volume 18, Issue 4, Page(s) e0283665

Abstract: This study aimed to assess heavy metals in the surface sediments of the Bharalu river, India. Metal concentrations ranged from 6.65-54.6 mg/kg for Ni, 25.2-250.0 mg/kg for Zn, 83.3-139.1 mg/kg for Pb, and 11940.0-31250.0 mg/kg for Fe. The level of metal ... ...

Abstract	This study aimed to assess heavy metals in the surface sediments of the Bharalu river, India. Metal concentrations ranged from 6.65-54.6 mg/kg for Ni, 25.2-250.0 mg/kg for Zn, 83.3-139.1 mg/kg for Pb, and 11940.0-31250.0 mg/kg for Fe. The level of metal contamination was assessed using sediment quality guidelines, geo-accumulation index (Igeo), enrichment factor (EF), pollution Load Index (PLI),Nemerow's pollution index (PIN), and potential ecological risk index. Pb exceeded the sediment quality guidelines at all sites indicating a potential threat to the river ecosystem. (Igeo) and EF also showed moderate to severe enrichment for Pb. Potential ecological risk (RI) showed low risk in the sediments, and Pb is the major contributor to ecological risk. Overall, pollution indices revealed comparably higher contamination of the sediments in the downstream sites than in the upstream site. PCA and correlation matrix analysis indicated both anthropogenic and natural origins for metals. Among anthropogenic sources, urban discharges and waste dumping could be mainly attributed to metal contamination in the river sediments. These findings may aid in developing future river management methods explicitly aimed at tackling heavy metal pollution to prevent further damage to the river ecosystem.
MeSH term(s)	Ecosystem ; Water Pollutants, Chemical/analysis ; Lead/analysis ; Geologic Sediments/analysis ; Environmental Monitoring/methods ; Metals, Heavy/analysis ; India ; Risk Assessment ; China
Chemical Substances	Water Pollutants, Chemical ; Lead (2P299V784P) ; Metals, Heavy
Language	English
Publishing date	2023-04-05
Publishing country	United States
Document type	Journal Article
ZDB-ID	2267670-3
ISSN	1932-6203 ; 1932-6203
ISSN (online)	1932-6203
ISSN	1932-6203
DOI	10.1371/journal.pone.0283665
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