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Article ; Online: Structure and dynamics of an active polymer chain inside a nanochannel grafted with polymers.

Sahoo, Rajiblochan / Chakrabarti, Rajarshi

2023 Volume 19, Issue 31, Page(s) 5978–5988

Abstract: We use computer simulations to investigate the complex dynamics of a polymer, made of active Brownian particles, inside a channel grafted internally with passive polymer chains. Our simulations reveal that this probe-polymer, if passive, exhibits a ... ...

Abstract	We use computer simulations to investigate the complex dynamics of a polymer, made of active Brownian particles, inside a channel grafted internally with passive polymer chains. Our simulations reveal that this probe-polymer, if passive, exhibits a compact structure when its interaction is repulsive with the grafted chains as it tends to stay within the hollow space created along the axis of the channel. On increasing the attractive interaction, the passive probe-polymer is pulled towards the grafted polymeric region and adopts an extended structure. By contrast, switching on the activity helps the probe-polymer to escape from the local traps caused by the sticky grafted chains. The interplay between the activity of the probe-polymer and its sticky interaction with the grafted chains results in shrinking, followed by swelling as the activity is increased. To elucidate the dynamics we compute the mean square displacement (MSD) of the center of mass of the probe-polymer, which increases monotonically with activity and displays superdiffusive behavior at an intermediate time and enhanced diffusion at a long time period. In addition, compared with the attractive interaction, the active probe-polymer shows faster dynamics when the interaction is repulsive to the grafted polymers. We believe that our current study will provide insights into the structural changes and dynamics of active polymers in heterogeneous media and will be useful in designing polymer-based drug delivery vehicles.
Language	English
Publishing date	2023-08-09
Publishing country	England
Document type	Journal Article
ZDB-ID	2191476-X
ISSN	1744-6848 ; 1744-683X
ISSN (online)	1744-6848
ISSN	1744-683X
DOI	10.1039/d3sm00618b
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Article ; Online: A Highly Chemically Robust 3D Interpenetrated MOF Heterogeneous Catalyst for the Synthesis of Hantzsch 1,4-Dihydropyridines and Drug Molecules.

Sahoo, Rupam / Pramanik, Bikram / Mondal, Supriya / Das, Madhab C

Small (Weinheim an der Bergstrasse, Germany)

2024 , Page(s) e2309281

Abstract: Metal-organic frameworks (MOFs) have attracted immense attention as efficient heterogeneous catalysts over other solid catalysts, however, their chemical environment instability often limits their catalytic potential. Herein, utilizing a flexible ... ...

Abstract	Metal-organic frameworks (MOFs) have attracted immense attention as efficient heterogeneous catalysts over other solid catalysts, however, their chemical environment instability often limits their catalytic potential. Herein, utilizing a flexible unexplored tetra-acid ligand and employing the mixed ligand approach, a 3D interpenetrated robust framework is strategically developed, IITKGP-51 (IITKGP stands for Indian Institute of Technology Kharagpur), which retained its crystallinity over a wide range of pH solution (4-12). Having ample open metal sites (OMSs), IITKGP-51 is explored as a heterogeneous catalyst in one-pot Hantzsch condensation reaction, with low catalyst loading for a broad range of substrates. The synthesis of drug molecules remains one of the most significant and emergent areas of organic and medicinal chemistry. Considering such practical utility, biologically important Nemadipine B and Nifedipine drug molecules (calcium channel protein inhibitor) are synthesized for the first time by using this catalyst and fully characterized via SC-XRD and other spectroscopic methods. This report inaugurates the usage of a MOF material as a catalyst for the synthesis of drug molecules.
Language	English
Publishing date	2024-01-08
Publishing country	Germany
Document type	Journal Article
ZDB-ID	2168935-0
ISSN	1613-6829 ; 1613-6810
ISSN (online)	1613-6829
ISSN	1613-6810
DOI	10.1002/smll.202309281
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Article ; Online: Ultrasound-Responsive Nanodroplet-Based Targeted Therapy via Conversion to Microbubbles.

Sahoo, Rajkumar / Sarkar, Ankan Kumar / Ali, Haydar / Jana, Nikhil R

ACS applied bio materials

2024 Volume 7, Issue 3, Page(s) 1852–1861

Abstract: Ultrasound-based therapy is appealing as it can be used via a wireless approach at remote parts of the body including the brain. Microbubbles are commonly used in such therapy due to their highly sound-responsive property. However, the larger size of ... ...

Abstract	Ultrasound-based therapy is appealing as it can be used via a wireless approach at remote parts of the body including the brain. Microbubbles are commonly used in such therapy due to their highly sound-responsive property. However, the larger size of microbubbles limits selective targeting
MeSH term(s)	Microbubbles ; Brain ; Cell Movement ; Cell- and Tissue-Based Therapy ; Dopamine
Chemical Substances	Dopamine (VTD58H1Z2X)
Language	English
Publishing date	2024-02-23
Publishing country	United States
Document type	Journal Article
ISSN	2576-6422
ISSN (online)	2576-6422
DOI	10.1021/acsabm.3c01245
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Article ; Online: Variation in Catalytic Efficacies of a 2D pH-stable MOF by Altering Activation Methods.

Behera, Janaki / Pal, Arun / Sahoo, Rupam / Das, Madhab C

Chemistry (Weinheim an der Bergstrasse, Germany)

2024 , Page(s) e202400375

Abstract: Although it is well-known that the Lewis acidity of Metal-Organic Frameworks (MOFs) can effectively enhance their catalytic activity in organic transformations, access to these Lewis-acidic sites remains a key hurdle to widespread applications of Lewis- ... ...

Abstract	Although it is well-known that the Lewis acidity of Metal-Organic Frameworks (MOFs) can effectively enhance their catalytic activity in organic transformations, access to these Lewis-acidic sites remains a key hurdle to widespread applications of Lewis-acidic catalysis by MOFs. Easy accessibility of strong Lewis acidic sites onto 2D MOFs by using proper activation methods can be a cornerstone in attaining desired catalytic performance. Herein, we report a new 2D chemically stable MOF, IITKGP-60, which displayed excellent framework robustness over a wide pH range (2-12). Benefiting from the abundant open metal sites (OMSs) and framework robustness, the catalytic activity of the developed material was explored in one-pot three-component Strecker reaction and Knoevenagel condensation reaction. Moreover, the developed catalyst is superior in catalyzing the reactions involving sterically hindered substrate (1-naphthaldehyde) with high turnover numbers. A comparative catalytic study was conducted using different activation methods (chloroform and methanol exchanged activated samples), highlighting the significant effect of activation methods on its catalytic performances. The sustainable synthetic pathway under solvent-free conditions for a broad scope of substrates using low catalyst loading and excellent recyclability made the developed pH-stable framework a promising heterogeneous catalyst.
Language	English
Publishing date	2024-04-15
Publishing country	Germany
Document type	Journal Article
ZDB-ID	1478547-X
ISSN	1521-3765 ; 0947-6539
ISSN (online)	1521-3765
ISSN	0947-6539
DOI	10.1002/chem.202400375
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Article ; Online: Design and Synthesis of Indazole-Indole Hybrid via

Kar, Abhishek / Rana, Gopal / Sahoo, Rajkamal / Ghosh, Sourav / Jana, Umasish

The Journal of organic chemistry

2024

Abstract: In this report, ... ...

Abstract	In this report, a
Language	English
Publishing date	2024-04-25
Publishing country	United States
Document type	Journal Article
ZDB-ID	123490-0
ISSN	1520-6904 ; 0022-3263
ISSN (online)	1520-6904
ISSN	0022-3263
DOI	10.1021/acs.joc.4c00377
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Article ; Online: pH-Stable Zn(II) Coordination Polymer as a Multiresponsive Turn-On and Turn-Off Fluorescent Sensor for Aqueous Medium Detection of Al(III) and Cr(VI) Oxo-Anions.

Mondal, Supriya / Sahoo, Rupam / Das, Madhab C

Inorganic chemistry

2023 Volume 62, Issue 34, Page(s) 14124–14133

Abstract: Nowadays, coordination polymers (CPs) are promising candidates as sensory materials for their high sensitivity, improved selectivity, fast responsive nature, as well as good recyclability. However, poor chemical stability often makes their practical ... ...

Abstract	Nowadays, coordination polymers (CPs) are promising candidates as sensory materials for their high sensitivity, improved selectivity, fast responsive nature, as well as good recyclability. However, poor chemical stability often makes their practical usage limited. Herein, employing a mixed ligand approach, we constructed a chemically robust CP, {[Zn
Language	English
Publishing date	2023-08-17
Publishing country	United States
Document type	Journal Article
ZDB-ID	1484438-2
ISSN	1520-510X ; 0020-1669
ISSN (online)	1520-510X
ISSN	0020-1669
DOI	10.1021/acs.inorgchem.3c02435
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Article: Journey of technological advancements in the detection of antimicrobial resistance.

Sahoo, Rituparna / Jadhav, Sushama / Nema, Vijay

Journal of the Formosan Medical Association = Taiwan yi zhi

2023 Volume 123, Issue 4, Page(s) 430–441

Abstract: Increased uses rather an extensive misuse of antibiotics due to easy availability and easy access have resulted in antibiotic resistance as a global crisis. The speed of discovery of new antibiotics has slowed down recently. Therefore, there is a need to ...

Abstract	Increased uses rather an extensive misuse of antibiotics due to easy availability and easy access have resulted in antibiotic resistance as a global crisis. The speed of discovery of new antibiotics has slowed down recently. Therefore, there is a need to reduce the rate of increase in resistance against the presently available antibiotics, or else many infections may be left untreatable or difficult to be treated due to the high prevalence of resistance. The judicious use of broad-spectrum antibiotics can control the increase in resistance profile. Various techniques are presently being used for the detection of antibiotic resistance. Conventional phenotypic methods are preferred that are highly reliable but are much more time-consuming. The patients cannot spare more time as the infection keeps increasing. The results with genotypic methods are obtained within 24 h as compared to phenotypic methods. Hence, recent molecular methods like qPCR can be used for detection. In this review, we present an overview of various methods useful for the detection of antibiotic resistance, with emphasis on their advantages and limitations. The review also emphasizes qPCR to be the most preferred method out of all because of various advantageous factors.
MeSH term(s)	Humans ; Anti-Bacterial Agents/pharmacology ; Anti-Bacterial Agents/therapeutic use ; Drug Resistance, Bacterial/genetics
Chemical Substances	Anti-Bacterial Agents
Language	English
Publishing date	2023-08-17
Publishing country	Singapore
Document type	Journal Article ; Review
ZDB-ID	2096659-3
ISSN	1876-0821 ; 0929-6646
ISSN (online)	1876-0821
ISSN	0929-6646
DOI	10.1016/j.jfma.2023.08.008
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Article ; Online: A new logistic growth model applied to COVID-19 fatality data.

Triambak, S / Mahapatra, D P / Mallick, N / Sahoo, R

Epidemics

2021 Volume 37, Page(s) 100515

Abstract: Background: Recent work showed that the temporal growth of the novel coronavirus disease (COVID-19) follows a sub-exponential power-law scaling whenever effective control interventions are in place. Taking this into consideration, we present a new ... ...

Abstract	Background: Recent work showed that the temporal growth of the novel coronavirus disease (COVID-19) follows a sub-exponential power-law scaling whenever effective control interventions are in place. Taking this into consideration, we present a new phenomenological logistic model that is well-suited for such power-law epidemic growth. Methods: We empirically develop the logistic growth model using simple scaling arguments, known boundary conditions and a comparison with available data from four countries, Belgium, China, Denmark and Germany, where (arguably) effective containment measures were put in place during the first wave of the pandemic. A non-linear least-squares minimization algorithm is used to map the parameter space and make optimal predictions. Results: Unlike other logistic growth models, our presented model is shown to consistently make accurate predictions of peak heights, peak locations and cumulative saturation values for incomplete epidemic growth curves. We further show that the power-law growth model also works reasonably well when containment and lock down strategies are not as stringent as they were during the first wave of infections in 2020. On the basis of this agreement, the model was used to forecast COVID-19 fatalities for the third wave in South Africa, which was in progress during the time of this work. Conclusion: We anticipate that our presented model will be useful for a similar forecasting of COVID-19 induced infections/deaths in other regions as well as other cases of infectious disease outbreaks, particularly when power-law scaling is observed.
MeSH term(s)	Belgium ; COVID-19 ; Communicable Disease Control ; Humans ; SARS-CoV-2 ; South Africa
Language	English
Publishing date	2021-10-30
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	2467993-8
ISSN	1878-0067 ; 1755-4365
ISSN (online)	1878-0067
ISSN	1755-4365
DOI	10.1016/j.epidem.2021.100515
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Article ; Online: Comparative analysis reveals the trivial role of MsrP in defending oxidative stress and virulence of Salmonella Typhimurium in mice.

Chandra, Hari Balaji / Lalhmangaihzuali, L / Shome, Arijit / Sahoo, Raj / Irungbam, Karuna / Mahawar, Manish

Free radical biology & medicine

2024 Volume 213, Page(s) 322–326

Abstract: Sulphur containing amino acids, methionine and cysteine are highly prone to oxidation. Reduction of oxidized methionine (Met-SO) residues to methionine (Met) by methionine sulfoxide reductases (Msrs) enhances the survival of bacterial pathogens under ... ...

Abstract	Sulphur containing amino acids, methionine and cysteine are highly prone to oxidation. Reduction of oxidized methionine (Met-SO) residues to methionine (Met) by methionine sulfoxide reductases (Msrs) enhances the survival of bacterial pathogens under oxidative stress conditions. S. Typhimurium encodes two types (cytoplasmic and periplasmic) of Msrs. Periplasmic proteins, due to their location are highly vulnerable to host-generated oxidants. Therefore, the periplasmic Msr (MsrP) mediated repair (as compared to the cytoplasmic counterpart) might play a more imperative role in defending host-generated oxidants. Contrary to this, we show that in comparison to the ΔmsrP strain, the mutant strains in the cytoplasmic Msrs (ΔmsrA and ΔmsrAC strains) showed many folds more susceptibility to chloramine-T and neutrophils. Further ΔmsrA and ΔmsrAC strains accumulated higher levels of ROS and showed compromised fitness in mice spleen and liver. Our data suggest the pivotal role of cytoplasmic Msrs in oxidative stress survival of S. Typhimurium.
MeSH term(s)	Animals ; Mice ; Salmonella typhimurium/genetics ; Virulence ; Oxidative Stress ; Methionine Sulfoxide Reductases/genetics ; Methionine Sulfoxide Reductases/metabolism ; Oxidation-Reduction ; Oxidants ; Methionine/metabolism ; Racemethionine/metabolism
Chemical Substances	Methionine Sulfoxide Reductases (EC 1.8.4.-) ; Oxidants ; Methionine (AE28F7PNPL) ; Racemethionine (73JWT2K6T3)
Language	English
Publishing date	2024-01-21
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Comment
ZDB-ID	807032-5
ISSN	1873-4596 ; 0891-5849
ISSN (online)	1873-4596
ISSN	0891-5849
DOI	10.1016/j.freeradbiomed.2024.01.020
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Article ; Online: Does presence of complex translocations involving BCR::ABL1 in chronic myeloid leukemia affect the response rate to tyrosine kinase inhibitors? A systematic review of the literature.

Sharma, Diwakar / Wilson, Christine / Kumar, Sachin / Ghose, Sampa / Sahoo, Ranjit / Sharawat, Surender K

Annals of diagnostic pathology

2024 Volume 71, Page(s) 152303

Abstract: Philadelphia (Ph) chromosome (9;22)(q34;q11) comprises 90-95 % of chronic myeloid leukemia (CML), while 5-10 % of CML have translocations involving three or more chromosomes. The outcome of treating patients harbouring complex Ph-positive cytogenetics ... ...

Abstract	Philadelphia (Ph) chromosome (9;22)(q34;q11) comprises 90-95 % of chronic myeloid leukemia (CML), while 5-10 % of CML have translocations involving three or more chromosomes. The outcome of treating patients harbouring complex Ph-positive cytogenetics with tyrosine kinase inhibitors (TKI) is unclear. In the present systematic review, we aim to summarise the response of patients with complex Ph-positive cytogenetics to treatment with TKI therapy. We collated all available literature from databases such as PubMed, Google Scholar, Web of Science database, Cochrane library, Scopus and Embase (up until January 31st, 2024), which describe cases of patients with CML, harbouring complex Ph-positive variations (three and four-way translocations), and summarised their response to TKI therapy. The studies were screened for the following criteria: documented TKI intervention and outcome (whether CR was achieved). Studies that did not report the same, were excluded. Additionally, we report a case from our center of a 55-year-old patient with CML, positive for the Ph-chromosome, harbouring a three-way translocation involving chromosome 15 i.e. 46XX, t(9;15;22) (q34;p11;q11). Identification of BCR::ABL and involvement of chromosome 15 was carried out using conventional cytogenetics, fluorescence in situ hybridization (FISH), and quantitative PCR (qPCR). Based on the inclusion criteria, a total of 15 studies were included from which a total of 87 cases were covered. Overall, we identified 38 unique complex three- and four-way translocations across 87 Ph-positive cases and found that 85 patients with complex Ph-positive cytogenetics achieved complete remission upon treatment and did not appear to have a lesser response to TKI therapy.
Language	English
Publishing date	2024-04-09
Publishing country	United States
Document type	Journal Article ; Review
ZDB-ID	1440011-x
ISSN	1532-8198 ; 1092-9134
ISSN (online)	1532-8198
ISSN	1092-9134
DOI	10.1016/j.anndiagpath.2024.152303
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