LIVIVO - Search results -

Search results

Result 1 - 10 of total 92

Search options

Article ; Online: An insight into the mixed quantum mechanical-molecular dynamics simulation of a Zn

Saha, Tanmoy / Sappati, Subrahmanyam / Das, Saurabh

International journal of biological macromolecules

2023 Volume 245, Page(s) 125305

Abstract: An important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was ... ...

Abstract	An important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with Zn
MeSH term(s)	Curcumin/chemistry ; Molecular Dynamics Simulation ; Molecular Docking Simulation ; Base Sequence ; Zinc ; DNA/chemistry
Chemical Substances	Curcumin (IT942ZTH98) ; Zinc (J41CSQ7QDS) ; DNA (9007-49-2)
Language	English
Publishing date	2023-06-13
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	282732-3
ISSN	1879-0003 ; 0141-8130
ISSN (online)	1879-0003
ISSN	0141-8130
DOI	10.1016/j.ijbiomac.2023.125305
Database	MEDical Literature Analysis and Retrieval System OnLINE

In stock of ZB MED Cologne/Königswinter

Zs.B 2374: Show issues

Location:
Je nach Verfügbarkeit (siehe Angabe bei Bestand)
bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
ab Jg. 2022: Lesesaal (EG)

Order via subito

This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

Details ▾
- See ZB MED holdings
- Order with fees

Article ; Online: Mechanics and properties of fish fin rays in nonlinear regimes of large deformations.

Das, Saurabh / Hannard, Florent / Barthelat, Francois

Acta biomaterialia

2023 Volume 167, Page(s) 171–181

Abstract: Fins from ray-finned fishes do not contain muscles, yet fish can change the shape of their fins with high precision and speed, while producing large hydrodynamic forces without collapsing. This remarkable performance has been intriguing researchers for ... ...

Abstract	Fins from ray-finned fishes do not contain muscles, yet fish can change the shape of their fins with high precision and speed, while producing large hydrodynamic forces without collapsing. This remarkable performance has been intriguing researchers for decades, but experiments have so far focused on homogenized properties, and models were developed only for small deformations and small rotations. Here we present fully instrumented micromechanical tests on individual rays from Rainbow trout in both morphing and flexural deflection mode and at large deflections. We then present a nonlinear mechanical model of the ray that captures the key structural elements controlling the mechanical behavior of rays under large deformations, which we successfully fit onto the experiments for property identification. We found that the flexural stiffness of the mineralized layers in the rays (hemitrichs) is 5-6 times lower than their axial stiffness, an advantageous combination to produce stiff morphing. In addition, the collagenous core region can be modeled with spring elements which are 3-4 orders of magnitude more compliant than the hemitrichs. This fibrillar structure provides negligible resistance to shearing from the initial position, but it prevents buckling and collapse of the structure at large deformations. These insights from the experiments and nonlinear models can serve as new guidelines for the design of efficient bioinspired stiff morphing materials and structures at large deformations. STATEMENT OF SIGNIFICANCE: Fins from ray-finned fishes do not contain muscles, yet fish can change the shape of their fins with high precision and speed, while producing large hydrodynamic forces without collapsing. Experiments have so far focused on homogenized properties, and models were developed only for small deformations and small rotations providing limited insight into the rich nonlinear mechanics of natural rays. We present micromechanical tests in both morphing and flexural deflection mode on individual rays, a nonlinear model of the ray that captures the mechanical behavior of rays under large deformations and combine microCT measurements to generate new insights into the nonlinear mechanics of rays. These insights can serve as new guidelines for the design of efficient bioinspired stiff morphing materials and structures at large deformations.
MeSH term(s)	Animals ; Biomechanical Phenomena ; Swimming/physiology ; Fishes ; Nonlinear Dynamics ; X-Ray Microtomography ; Animal Fins/physiology
Language	English
Publishing date	2023-06-24
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2173841-5
ISSN	1878-7568 ; 1742-7061
ISSN (online)	1878-7568
ISSN	1742-7061
DOI	10.1016/j.actbio.2023.06.029
Database	MEDical Literature Analysis and Retrieval System OnLINE

Order via subito

Article ; Online: An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations

Saha, Tanmoy / Sappati, Subrahmanyam / Das, Saurabh

International Journal of Biological Macromolecules. 2023 Aug., v. 245 p.125305-

2023

Abstract	An important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with Znᴵᴵ, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule of water bound to Znᴵᴵ. It arrests degradation of HCur to a considerable extent that was realized by taking it in phosphate buffer and in biological milieu. The structure was obtained by DFT calculations. Stable adduct formation was identified between optimized structures of HCur and [Zn(Cur)] with DNA (PDB ID: 1BNA) through experiments validated with multiscale modeling approach. Molecular docking studies provide 2D and 3D representations of binding of HCur and [Zn(Cur)] through different non-covalent interactions with the nucleotides of the chosen DNA. Through molecular dynamics simulation, a detailed understanding of binding pattern and key structural characteristics of the generated DNA-complex was obtained following analysis by RMSD, RMSF, radius of gyration, SASA and aspects like formation of hydrogen bonds. Experimental studies provide binding constants for [Zn(Cur)] with calf thymus DNA at 25 °C that effectively helps one to realize its high affinity towards DNA. In the absence of an experimental binding study of HCur with DNA, owing to its tendency to degrade in solution, a theoretical analysis of the binding of HCur to DNA is extremely helpful. Besides, both experimental and simulated binding of [Zn(Cur)] to DNA may be considered as a case of pseudo-binding of HCur to DNA. In a way, such studies on interaction with DNA helps one to identify HCur's affinity for cellular target DNA, not realized through experiments. The entire investigation is an understanding of experimental and theoretical approaches that has been compared continuously, being particularly useful when a molecule's interaction with a biological target cannot be realized experimentally.
Keywords	DNA ; acetates ; aqueous solutions ; calves ; curcumin ; hydrogen ; molecular dynamics ; nucleotide sequences ; nucleotides ; phosphates ; HCur ; [Zn(Cur)] ; ZnII ; DFT ; Molecular docking ; Molecular dynamic simulation ; RMSD ; RMSF ; Radius of gyration ; SASA ; Hydrogen bonds
Language	English
Dates of publication	2023-08
Publishing place	Elsevier B.V.
Document type	Article ; Online
ZDB-ID	282732-3
ISSN	1879-0003 ; 0141-8130
ISSN (online)	1879-0003
ISSN	0141-8130
DOI	10.1016/j.ijbiomac.2023.125305
Database	NAL-Catalogue (AGRICOLA)

In stock of ZB MED Cologne/Königswinter

Zs.B 2374: Show issues

Location:
Je nach Verfügbarkeit (siehe Angabe bei Bestand)
bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
ab Jg. 2022: Lesesaal (EG)

Order via subito

Details ▾
- See ZB MED holdings
- Order with fees

Article: Free radical induced activity of an anthracycline analogue and its Mn

Saha, Mouli / Das, Saurabh

Heliyon

2021 Volume 7, Issue 8, Page(s) e07746

Abstract: Cytotoxicity by anthracycline antibiotics is attributed to several pathways. Important among them are formation of free-radical intermediates. However, their generation makes anthracyclines cardiotoxic which is a concern on their use as anticancer agents. ...

Abstract	Cytotoxicity by anthracycline antibiotics is attributed to several pathways. Important among them are formation of free-radical intermediates. However, their generation makes anthracyclines cardiotoxic which is a concern on their use as anticancer agents. Hence, any change in redox behavior that address cardiotoxicity is welcome. Modulation of redox behavior raises the fear that cytotoxicity could be compromised. Regarding the generation of free radical intermediates on anthracyclines, a lot depends on the surrounding environment (oxic or anoxic), polarity and pH of the medium. In case of anthracyclines, one-electron reduction to semiquinone or two-electron reduction to quinone-dianion are crucial both for cytotoxicity and for cardiotoxic side effects. The disproportion-comproportionation equilibria at play between quinone-dianion, free quinone and semiquinone control biological activity. Whatever is the form of reduction, semiquinones are generated as a consequence of the presence of anthracyclines and these interact with a biological target. Alizarin, a simpler anthracycline analogue and its Mn
Language	English
Publishing date	2021-08-11
Publishing country	England
Document type	Journal Article
ZDB-ID	2835763-2
ISSN	2405-8440
ISSN	2405-8440
DOI	10.1016/j.heliyon.2021.e07746
Database	MEDical Literature Analysis and Retrieval System OnLINE

Order via subito

Article: Free radical induced activity of an anthracycline analogue and its MnII complex on biological targets through in situ electrochemical generation of semiquinone

Saha, Mouli / Das, Saurabh

Heliyon. 2021 Aug., v. 7, no. 8

2021

Abstract	Cytotoxicity by anthracycline antibiotics is attributed to several pathways. Important among them are formation of free-radical intermediates. However, their generation makes anthracyclines cardiotoxic which is a concern on their use as anticancer agents. Hence, any change in redox behavior that address cardiotoxicity is welcome. Modulation of redox behavior raises the fear that cytotoxicity could be compromised. Regarding the generation of free radical intermediates on anthracyclines, a lot depends on the surrounding environment (oxic or anoxic), polarity and pH of the medium. In case of anthracyclines, one-electron reduction to semiquinone or two-electron reduction to quinone-dianion are crucial both for cytotoxicity and for cardiotoxic side effects. The disproportion-comproportionation equilibria at play between quinone-dianion, free quinone and semiquinone control biological activity. Whatever is the form of reduction, semiquinones are generated as a consequence of the presence of anthracyclines and these interact with a biological target. Alizarin, a simpler anthracycline analogue and its Mnᴵᴵ complex were subjected to electrochemical reduction to realize what happens when anthracyclines are reduced by compounds present in cells as members of the electron transport chain. Glassy carbon electrode maintained at the pre-determined reduction potential of a compound was used for reduction of the compounds. Nucleobases and calf thymus DNA that were maintained in immediate vicinity of such radical generation were used as biological targets. Changes due to the generated species under aerated/de-aerated conditions on nucleobases and on DNA helps one to realize the process by which alizarin and its Mnᴵᴵ complex might affect DNA. The study reveals alizarin was more effective on nucleobases than the complex in the free radical pathway. Difference in damage caused by alizarin and the Mnᴵᴵ complex on DNA is comparatively less than that observed on nucleobases; the complex makes up for any inefficacy in the free radical pathway by its other attributes.
Keywords	DNA ; alizarin ; anthracyclines ; calves ; cardiotoxicity ; cytotoxicity ; electrochemistry ; electron transport chain ; fearfulness ; free radicals ; glassy carbon electrode ; nucleobases ; pH
Language	English
Dates of publication	2021-08
Publishing place	Elsevier Ltd
Document type	Article
ZDB-ID	2835763-2
ISSN	2405-8440
ISSN	2405-8440
DOI	10.1016/j.heliyon.2021.e07746
Database	NAL-Catalogue (AGRICOLA)

Order via subito

Article: Recent changes in Indian monsoon in light of regionalization based on various rain features

Chatterjee, Chandrani / Das, Saurabh

Theoretical and applied climatology. 2021 Nov., v. 146, no. 3-4

2021

Abstract: The effect of climate change on precipitation pattern is emerging out as a serious global challenge. However, the quantification and assessment of the climate change effect on precipitation are a challenging issue given the spatio-temporal inhomogeneity ... ...

Abstract	The effect of climate change on precipitation pattern is emerging out as a serious global challenge. However, the quantification and assessment of the climate change effect on precipitation are a challenging issue given the spatio-temporal inhomogeneity of rainfall. Previous studies mostly used only rain intensity information for the identification of climate change signature by selecting homogeneous rain regions. Rain climatology, however, has several other important characteristics like occurrence of multiple rain type, occurrence of extreme rain events and their spatial distribution. The present study provides a novel approach to combine satellite data with ground measurements for addressing this issue. In this study, the Indian subcontinent has been divided into homogeneous regions based on six different rain features, obtained from ground observations and TRMM satellite measurements of 12 years, using K-medoid clustering technique. The rain features showed distinguishable patterns in the resulting nine homogeneous rain zones and distinct behavioural patterns in the inter-relationships between the various rain features. To verify the consistency of the proposed regionalization, the recent changes in mean monsoon rain rates are then studied using 40 years of rain gauge measurements for these regions. Increasing trends in monsoon rain are observed in two homogeneous regions whereas five of them have shown decreasing signature of rain intensity. Although the present study focused only on monsoon rain over India, the results indicate the suitability of the proposed method as an efficient technique of identifying homogeneous region for other seasons and locations as well.
Keywords	climate change ; climatology ; monsoon season ; rain ; rain gauges ; rain intensity ; remote sensing ; satellites ; India
Language	English
Dates of publication	2021-11
Size	p. 1007-1018.
Publishing place	Springer Vienna
Document type	Article
ZDB-ID	1463177-5
ISSN	1434-4483 ; 0177-798X
ISSN (online)	1434-4483
ISSN	0177-798X
DOI	10.1007/s00704-021-03781-z
Database	NAL-Catalogue (AGRICOLA)

Order via subito

Article: Mottling, Lactate, and the Microcirculation in Sepsis: Are We Back to Bedside Clinical Assessment after the Honeymoon with Technology?

Das, Saurabh / Ray, Sumit

Indian journal of critical care medicine : peer-reviewed, official publication of Indian Society of Critical Care Medicine

2020 Volume 24, Issue 8, Page(s) 615–616

Abstract: How to cite this article: ...

Abstract	How to cite this article:
Language	English
Publishing date	2020-10-06
Publishing country	India
Document type	Editorial
ZDB-ID	2121263-6
ISSN	1998-359X ; 0972-5229
ISSN (online)	1998-359X
ISSN	0972-5229
DOI	10.5005/jp-journals-10071-23514
Database	MEDical Literature Analysis and Retrieval System OnLINE

Order via subito

Book ; Online: Ionospheric response during Tropical Cyclones-a brief review on Amphan and Nisarga

Ayyagari, Deepthi / Datta, Soumen / Das, Saurabh / Datta, Abhirup

2023

Abstract: Here, we explore the different characteristics of a possible coupling between tropospheric and ionospheric activities during the impact of tropical cyclones (TC) like Amphan and Nisarga in the Indian subcontinent. We have analyzed the effect of TCs ... ...

Abstract	Here, we explore the different characteristics of a possible coupling between tropospheric and ionospheric activities during the impact of tropical cyclones (TC) like Amphan and Nisarga in the Indian subcontinent. We have analyzed the effect of TCs Amphan and Nisarga on the low latitude ionosphere using the measurements from several IGS stations around India and a GPS+ NavIC station in Indore, India. For the first time, this study assesses the impact of tropical cyclones on the equatorial ionosphere using both GPS and NavIC. After the landfall of TC Amphan, the VTEC analysis shows a significant drop from nominal values in both NavIC as well in GPS by $5.1$ TECU and $3.6$ TECU, respectively. In contrast to TC Amphan, Nisarga showed a rise in VTEC which ranged from $0.9$ TECU in GPS to $1.7$ - $5$ TECU in NavIC satellites except for PRN6. The paper examines Outgoing Longwave Radiation as a proxy to the convective activity which may be responsible for the ionospheric variation through the generation of gravity waves. In addition, the horizontal neutral wind observations at the location of TC landfall confirm the presence of ionospheric disturbances. VTEC perturbation analysis using a band-pass filter reveals a variation in differential TEC values between $\pm0.4$ and $\pm0.8$ based on the IGS station measurements. This indicates that the gravity wave is one of the responsible mechanisms for the lower-upper atmospheric coupling during both cyclones.
Keywords	Physics - Atmospheric and Oceanic Physics
Subject code	551
Publishing date	2023-10-27
Publishing country	us
Document type	Book ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

Full text online

Full text

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

Article ; Online: Utilizing coordination chemistry through formation of a Cu

Chatterjee, Sayantani / Jain, Chetan Kumar / Saha, Tanmoy / Roychoudhury, Susanta / Majumder, Hemanta Kumar / Das, Saurabh

Journal of inorganic biochemistry

2023 Volume 249, Page(s) 112369

Abstract: Quinalizarin, an analogue of anthracycline anticancer agents, is an anticancer agent itself. A ... ...

Abstract	Quinalizarin, an analogue of anthracycline anticancer agents, is an anticancer agent itself. A Cu
MeSH term(s)	Humans ; DNA Topoisomerases, Type I/metabolism ; Antineoplastic Agents/pharmacology ; Antineoplastic Agents/chemistry ; Antibiotics, Antineoplastic ; Topoisomerase II Inhibitors/pharmacology ; Superoxides/metabolism ; Anthracyclines ; Free Radicals/metabolism ; Copper/chemistry ; Coordination Complexes/chemistry
Chemical Substances	1,2,5,8-tetrahydroxy anthraquinone (6D43C3LYSG) ; DNA Topoisomerases, Type I (EC 5.99.1.2) ; Antineoplastic Agents ; Antibiotics, Antineoplastic ; Topoisomerase II Inhibitors ; Superoxides (11062-77-4) ; Anthracyclines ; Free Radicals ; Copper (789U1901C5) ; Coordination Complexes
Language	English
Publishing date	2023-09-21
Publishing country	United States
Document type	Journal Article
ZDB-ID	162843-4
ISSN	1873-3344 ; 0162-0134
ISSN (online)	1873-3344
ISSN	0162-0134
DOI	10.1016/j.jinorgbio.2023.112369
Database	MEDical Literature Analysis and Retrieval System OnLINE

In stock of ZB MED Cologne/Königswinter

Zs.B 1730: Show issues

Location:
Je nach Verfügbarkeit (siehe Angabe bei Bestand)
bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
ab Jg. 2022: Lesesaal (EG)

Order via subito

Details ▾
- See ZB MED holdings
- Order with fees

Book ; Online: CNN-Based Deep Learning in Solar Wind Forecasting

Raju, Hemapriya / Das, Saurabh

2021

Abstract: This article implements a Convolutional Neural Network (CNN)-based deep learning model for solar-wind prediction. Images from the Atmospheric Imaging Assembly (AIA) at 193\.A wavelength are used for training. Solar-wind speed is taken from the Advanced ... ...

Abstract	This article implements a Convolutional Neural Network (CNN)-based deep learning model for solar-wind prediction. Images from the Atmospheric Imaging Assembly (AIA) at 193\.A wavelength are used for training. Solar-wind speed is taken from the Advanced Composition Explorer (ACE) located at the Lagrangian L1 point. The proposed CNN architecture is designed from scratch for training with four years' data. The solar-wind has been ballistically traced back to the Sun assuming a constant speed during propagation, to obtain the corresponding coronal intensity data from AIA images. This forecasting scheme can predict the solar-wind speed well with a RMSE of 76.3 km\s and an overall correlation coefficient of 0.57 for the year 2018, while significantly outperforming benchmark models. The threat score for the model is around 0.46 in identifying the HSEs with zero false alarms. Comment: 21 pages,13 figures. Accepted for publication in Solar Physics. After published, it will be available at https://www.springer.com/journal/11207
Keywords	Astrophysics - Solar and Stellar Astrophysics ; Astrophysics - Instrumentation and Methods for Astrophysics ; Physics - Space Physics
Subject code	551
Publishing date	2021-08-20
Publishing country	us
Document type	Book ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

Full text online

Full text

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

To top

More links

Kategorien

In stock of ZB MED Cologne/Königswinter

Order via subito

More links

Kategorien

Order via subito

More links

Kategorien

In stock of ZB MED Cologne/Königswinter

Order via subito

More links

Kategorien

Order via subito

More links

Kategorien

Order via subito

More links

Kategorien

Order via subito

More links

Kategorien

Order via subito

Full text online

More links

Kategorien

Inter-library loan at ZB MED

More links

Kategorien

In stock of ZB MED Cologne/Königswinter

Order via subito

Full text online

More links

Kategorien

Inter-library loan at ZB MED