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Article ; Online: Identifying the acidic or basic behavior of surface water: a QM/MM-MD study.

Rashid, Md Al Mamunur / Rahman, Mofizur / Acter, Thamina / Uddin, Nizam

Physical chemistry chemical physics : PCCP

2023 Volume 25, Issue 45, Page(s) 31194–31205

Abstract: Controversies on the water surface were theoretically addressed with the help of large scale quantum mechanical molecular dynamics (QMMD) simulations on water surface model systems with and without excess hydroniums and hydroxides. It was revealed that ... ...

Abstract	Controversies on the water surface were theoretically addressed with the help of large scale quantum mechanical molecular dynamics (QMMD) simulations on water surface model systems with and without excess hydroniums and hydroxides. It was revealed that the thermodynamic surface structures of these ions strongly depend on their location and dipole orientation. Fast hydronium diffusion by proton transfer establishes a wider kinetic depth distribution (∼6 Å) than that predicted by its thermodynamic affinity for the water surface, while slow hydroxide is shallowly trapped below the outermost molecular layer (3-4 Å). In addition, the anisotropic orientation of surface water dipole can generate a substantial magnitude of surface potential, which extends to a depth of a few molecular layers. With these distinctively different surface properties of two ions and water molecules, the seemingly contradictory observations of acidic and negatively charged water surfaces may be successfully explained. That is, the negative surface charge of neutral water mostly stems from intrinsic water properties such as water dipole orientation and electron density spillage at the surface, rather than surface OH
Language	English
Publishing date	2023-11-22
Publishing country	England
Document type	Journal Article
ZDB-ID	1476244-4
ISSN	1463-9084 ; 1463-9076
ISSN (online)	1463-9084
ISSN	1463-9076
DOI	10.1039/d3cp02080k
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Coping with the COVID-19 pandemic by strengthening immunity as a nonpharmaceutical intervention: A major public health challenge.

Uddin, Nizam / Acter, Thamina / Rashid, Md Harun-Ar / Chowdhury, Akibul Islam / Jahan, Effat Ara

Health science reports

2023 Volume 6, Issue 9, Page(s) e1562

Abstract: Background and aims: The global Coronavirus-2 outbreak has emerged as a significant threat to majority of individuals around the world. The most effective solution for addressing this viral outbreak is through vaccination. Simultaneously, the virus's ... ...

Abstract	Background and aims: The global Coronavirus-2 outbreak has emerged as a significant threat to majority of individuals around the world. The most effective solution for addressing this viral outbreak is through vaccination. Simultaneously, the virus's mutation capabilities pose a potential risk to the effectiveness of both vaccines and, in certain instances, newly developed drugs. Conversely, the human body's immune system exhibits a robust ability to combat viral outbreaks with substantial confidence, as evidenced by the ratio of fatalities to affected individuals worldwide. Hence, an alternative strategy to mitigate this pandemic could involve enhancing the immune system's resilience. Methods: The research objective of the review is to acquire a comprehensive understanding of the role of inflammation and immunity in COVID-19. The pertinent literature concerning immune system functions, the impact of inflammation against viruses like SARS-CoV-2, and the connection between nutritional interventions, inflammation, and immunity was systematically explored. Results: Enhancing immune function involves mitigating the impact of key factors that negatively influence the immune response. Strengthening the immune system against emerging diseases can be achieved through nonpharmaceutical measures such as maintaining a balanced nutrition, engaging in regular exercise, ensuring adequate sleep, and managing stress. Conclusion: This review aims to convey the significance of and provide recommendations for immune-strengthening strategies amidst the ongoing COVID-19 pandemic.
Language	English
Publishing date	2023-09-13
Publishing country	United States
Document type	Journal Article
ISSN	2398-8835
ISSN (online)	2398-8835
DOI	10.1002/hsr2.1562
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Article ; Online: Coping with the COVID‐19 pandemic by strengthening immunity as a nonpharmaceutical intervention

Nizam Uddin / Thamina Acter / Md. Harun‐Ar Rashid / Akibul Islam Chowdhury / Effat Ara Jahan

Health Science Reports, Vol 6, Iss 9, Pp n/a-n/a (2023)

A major public health challenge

2023

Abstract: Abstract Background and Aims The global Coronavirus‐2 outbreak has emerged as a significant threat to majority of individuals around the world. The most effective solution for addressing this viral outbreak is through vaccination. Simultaneously, the ... ...

Abstract	Abstract Background and Aims The global Coronavirus‐2 outbreak has emerged as a significant threat to majority of individuals around the world. The most effective solution for addressing this viral outbreak is through vaccination. Simultaneously, the virus's mutation capabilities pose a potential risk to the effectiveness of both vaccines and, in certain instances, newly developed drugs. Conversely, the human body's immune system exhibits a robust ability to combat viral outbreaks with substantial confidence, as evidenced by the ratio of fatalities to affected individuals worldwide. Hence, an alternative strategy to mitigate this pandemic could involve enhancing the immune system's resilience. Methods The research objective of the review is to acquire a comprehensive understanding of the role of inflammation and immunity in COVID‐19. The pertinent literature concerning immune system functions, the impact of inflammation against viruses like SARS‐CoV‐2, and the connection between nutritional interventions, inflammation, and immunity was systematically explored. Results Enhancing immune function involves mitigating the impact of key factors that negatively influence the immune response. Strengthening the immune system against emerging diseases can be achieved through nonpharmaceutical measures such as maintaining a balanced nutrition, engaging in regular exercise, ensuring adequate sleep, and managing stress. Conclusion This review aims to convey the significance of and provide recommendations for immune‐strengthening strategies amidst the ongoing COVID‐19 pandemic.
Keywords	coronavirus‐2 ; COVID‐19 ; exercise ; immune system ; infection ; nutrition ; Medicine ; R
Subject code	570
Language	English
Publishing date	2023-09-01T00:00:00Z
Publisher	Wiley
Document type	Article ; Online
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Article: Ion mobility mass spectrometry for structural elucidation of petroleum compounds

Acter, Thamina / Uddin, Nizam / Cho, Eunji / Riches, Eleanor / Giustie, Pierre / Afonso, Carlos / Kim, Sunghwan

Trends in analytical chemistry. 2022 June, v. 151

2022

Abstract: To gain insight into the chemical composition and characteristics of petroleum, its characterization and structural identification at the molecular level is essential. To this aim, mass spectrometry techniques, especially ultrahigh-resolution mass ... ...

Abstract	To gain insight into the chemical composition and characteristics of petroleum, its characterization and structural identification at the molecular level is essential. To this aim, mass spectrometry techniques, especially ultrahigh-resolution mass spectrometry and its coupling with other complementary tools such as hydrogen–deuterium exchange, tandem mass spectrometry are important analytical methods. In particular, the analytical power of ion mobility (IM) coupled with high-resolution mass spectrometry (IMMS) in structural characterization has expanded its scope from biomolecules to petroleum since 2009, providing improved peak capacities and more accurate structural assignments in petroleum samples. The separation of gas-phase ions in IM devices is based on their size or shape (e.g., collisional cross section), charge, and drift gas. Information on the structure of petroleum ions is then obtained by comparing the theoretical and experimental collision cross-sections obtained using IMMS. Considering the relevance that the construction of a systematic guideline of IMMS for the molecular characterization of petroleum would have in the context of petroleum technology, we describe in this review some instructive examples of the application of IMMS to the analysis of petroleum compounds and petroleum products, along with its future perspective, with the aim of providing a potent guide for petroleum specialists who want a comprehensive and concise overview of the implications of the IMMS technology for petroleum analysis.
Keywords	analytical chemistry ; biochemical compounds ; chemical composition ; guidelines ; petroleum ; tandem mass spectrometry
Language	English
Dates of publication	2022-06
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	2014041-1
ISSN	0165-9936
ISSN	0165-9936
DOI	10.1016/j.trac.2022.116597
Database	NAL-Catalogue (AGRICOLA)

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Article: Application of Laser-Desorption Silver-Ionization Ultrahigh-Resolution Mass Spectrometry for Analysis of Petroleum Samples Subjected to Hydrotreating

Acter, Thamina / Uddin, Nizam / Solihat, Nissa Nurfajrin / Kim, Sunghwan

Energy & fuels. 2021 Sept. 09, v. 35, no. 19

2021

Abstract: In this study, silver ion (Ag⁺)-aided laser-desorption ionization coupled to Fourier transform ion cyclotron resonance mass spectrometry was applied to investigate the effects on sulfur-containing compounds after the hydrodesulphurization (HDS) process. ... ...

Abstract	In this study, silver ion (Ag⁺)-aided laser-desorption ionization coupled to Fourier transform ion cyclotron resonance mass spectrometry was applied to investigate the effects on sulfur-containing compounds after the hydrodesulphurization (HDS) process. For this purpose, three sets of atmospheric residue (AR) and treated atmospheric residue (tAR) samples were analyzed by adding silver nitrate (AgNO₃) solution at an optimized concentration ratio of 1:1. Two high-sulfur samples (5.51 and 4.68% each) and one low-sulfur (0.47%) AR sample were studied. The results presented in this study showed that significant changes in the sulfur (S₁ and S₂) and hydrocarbon (HC) class were observed after treatment of the high-sulfur AR samples. The removal of S₁ species with lower double-bond equivalent values (DBE) (DBE < 9), presumably thiophenes and benzothiophenes, was more effective than the removal of S₁ species with higher DBE (DBE > 9) values. In addition, the abundance of the aromatic HC class was significantly increased, but the abundance of the nonaromatic HC class was not. In the case of a low-sulfur AR sample, no significant change in HC class was observed after treatment. Therefore, it was concluded that the transformation of benzo- and dibenzothiophene-type compounds to aromatic HCs is the major reaction occurring in the HDS process. The reaction pathways for the transformation were suggested based on the results obtained in this study and previous literature. This study confirms that laser-desorption silver ionization can efficiently ionize the hydrocarbons and nonpolar sulfur-containing compounds present in crude oil.
Keywords	energy ; ionization ; mass spectrometry ; petroleum ; silver ; silver nitrate ; sulfur ; thiophenes
Language	English
Dates of publication	2021-0909
Size	p. 15545-15554.
Publishing place	American Chemical Society
Document type	Article
ZDB-ID	1483539-3
ISSN	1520-5029 ; 0887-0624
ISSN (online)	1520-5029
ISSN	0887-0624
DOI	10.1021/acs.energyfuels.1c01824
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Article ; Online: Evolution of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) as coronavirus disease 2019 (COVID-19) pandemic: A global health emergency.

Acter, Thamina / Uddin, Nizam / Das, Jagotamoy / Akhter, Afroza / Choudhury, Tasrina Rabia / Kim, Sunghwan

The Science of the total environment

2020 Volume 730, Page(s) 138996

Abstract: According to data compiled by researchers at Johns Hopkins University in Baltimore, Maryland, more than two and half million cases of coronavirus disease 2019 (COVID-19), caused by a newly discovered virus named severe acute respiratory syndrome ... ...

Abstract	According to data compiled by researchers at Johns Hopkins University in Baltimore, Maryland, more than two and half million cases of coronavirus disease 2019 (COVID-19), caused by a newly discovered virus named severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), have been confirmed on April 20, 2020 (Nature, 2020b). Since the emergence of this infectious disease in Asia (Wuhan, China) late last year, it has been subsequently span to every continent of the world except Antarctica (Rodríguez-Morales et al., 2020). Along with a foothold in every country, the current disease pandemic is disrupting practically every aspect of life all over the world. As the outbreak are continuing to evolve, several research activities have been conducted for better understanding the origin, functions, treatments, and preventions of this novel coronavirus. This review will be a summa of the key features of novel coronavirus (nCoV), the virus causing disease 2019 and the present epidemic situation worldwide up to April 20, 2020. It is expected that this record will play an important role to take more preventive measures for overcoming the challenges faced during this current pandemic.
MeSH term(s)	Betacoronavirus ; COVID-19 ; Coronavirus Infections ; Global Health ; Pandemics ; Pneumonia, Viral ; SARS-CoV-2
Keywords	covid19
Language	English
Publishing date	2020-04-30
Publishing country	Netherlands
Document type	Journal Article ; Review
ZDB-ID	121506-1
ISSN	1879-1026 ; 0048-9697
ISSN (online)	1879-1026
ISSN	0048-9697
DOI	10.1016/j.scitotenv.2020.138996
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Article: Application of silver-assisted laser desorption ionization ultrahigh-resolution mass spectrometry for the speciation of sulfur compounds

Acter, Thamina / Solihat, Nissa Nurfajrin / Kim, Sungjune / Uddin, Nizam / Mustafa, Ahmad Ismail / Shamsuddin, Sayed Md / Kim, Sunghwan

Analytical and bioanalytical chemistry. 2020 Jan., v. 412, no. 1

2020

Abstract: We herein report the optimization and application of silver cationization (Ag+) in combination with laser desorption ionization (LDI) ultrahigh-resolution mass spectrometry (UHR-MS) to determine the structures of the sulfur-containing compounds present ... ...

Abstract	We herein report the optimization and application of silver cationization (Ag+) in combination with laser desorption ionization (LDI) ultrahigh-resolution mass spectrometry (UHR-MS) to determine the structures of the sulfur-containing compounds present in heavy crude oil. A number of sulfur-containing model compounds were used to optimize the positive-ion mode LDI-MS conditions in the presence of a silver-complexing agent. Under the optimized LDI conditions, sulfur-rich heavy oil fractions were treated with the silver salt, where Ag+ coordinated with the sulfur atoms to speciate the sulfur species. The obtained results suggested that benzothiophenic, naphtheno-non-aromatic sulfides, and non-aromatic thiols were the major components present in the analyzed oil sample. Graphical abstract
Keywords	cationization ; desorption ; mass spectrometry ; models ; oils ; petroleum ; silver ; sulfides ; sulfur ; thiols
Language	English
Dates of publication	2020-01
Size	p. 243-255.
Publishing place	Springer Berlin Heidelberg
Document type	Article
ISSN	1618-2642
DOI	10.1007/s00216-019-02272-5
Database	NAL-Catalogue (AGRICOLA)

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Article: Heavy metals contamination of river water and sediments in the mangrove forest ecosystems in Bangladesh: A consequence of oil spill incident

Choudhury, Tasrina Rabia / Acter, Thamina / Uddin, Nizam / Kamal, Masud / Sarwaruddin Chowdhury, A.M / Safiur Rahman, M

Environmental nanotechnology, monitoring & management. 2021 Dec., v. 16

2021

Abstract: Oil spillage is one of the common pollution events of global water-soil ecosystems. A comprehensive investigation on heavy metals pollution of surface water and sediments was conducted after oil spill incident in Sela River and its tributaries of the ... ...

Abstract	Oil spillage is one of the common pollution events of global water-soil ecosystems. A comprehensive investigation on heavy metals pollution of surface water and sediments was conducted after oil spill incident in Sela River and its tributaries of the Sundarbans mangrove forest ecosystems, Bangladesh. Water and sediment samples were collected from the preselected sampling points in Sela River, and the elemental (Pb, Cd, Cr, Co, Cu, Ni, Fe, As, Hg, Mn, Zn, Ca, Mg, Na, and K) analysis was done using atomic absorption spectrometer (AAS). This study revealed that the descending order for the average concentration of the studied elements were found to be Mg > Co > Na > Ni > K > Ca > Pb > Fe > Mn > Cr > Cd > Zn > Cu respectively, while As and Hg in water samples were found to be below detection limit (BDL). However, some of the toxic elements in the Sela River water samples were exceeded the permissible limit set by the World Health Organization (WHO) with a descending order of Co > Cd > Pb > Ni respectively. Based on the water quality index (WQI), metal pollution index (MPI), and metal quality index (MI), the Sela River water is not suitable for drinking but may be used for irrigating agricultural and vegetable crops. On the other hand, elemental concentration in the sediment samples were found to be the following descending order of Fe > Mg > Na > K > Ca > Mn > Zn > Cr > Cu > Pb > As > Cd respectively. Several pollution assessment indices: contamination factor (Cf), degree of contamination (Cd), modified degree of contamination (mCd), pollution load (PLI), enrichment factor (EF), geo-accumulation (Igeo) indices were followed to assess the sediment systems pollution in the study area. Considering sediment quality indices, this study revealed that the river sediment had higher contamination factor (Cf) values for Cd, moderate values for Pb, Cr, Cu, Zn, Mg, and As, and low values for Mn, Fe, Ca, Na, and K. Among the studied heavy metals, Cd content was highest in both water and sediment samples, which confirming that Cd, insoluble or suspended form, was more likely to be strongly deposited and bound in sediments from water. Principal component and correlation analyses suggested that the sources of heavy metals pollution were mainly anthropogenic along with the geogenic sources in the study area.
Keywords	World Health Organization ; administrative management ; atomic absorption spectrometry ; detection limit ; mangrove forests ; oil spills ; pollution load ; river water ; rivers ; sediments ; surface water ; toxicity ; vegetables ; water quality ; Bangladesh
Language	English
Dates of publication	2021-12
Publishing place	Elsevier B.V.
Document type	Article
Note	NAL-AP-2-clean
ZDB-ID	2821777-9
ISSN	2215-1532
ISSN	2215-1532
DOI	10.1016/j.enmm.2021.100484
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Evolution of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) as coronavirus disease 2019 (COVID-19) pandemic

Acter, Thamina / Uddin, Nizam / Das, Jagotamoy / Akhter, Afroza / Choudhury, Tasrina Rabia / Kim, Sunghwan

Science of The Total Environment

A global health emergency

2020 Volume 730, Page(s) 138996

Keywords	Environmental Engineering ; Waste Management and Disposal ; Pollution ; Environmental Chemistry ; covid19
Language	English
Publisher	Elsevier BV
Publishing country	us
Document type	Article ; Online
ZDB-ID	121506-1
ISSN	1879-1026 ; 0048-9697
ISSN (online)	1879-1026
ISSN	0048-9697
DOI	10.1016/j.scitotenv.2020.138996
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Article ; Online: Application of silver-assisted laser desorption ionization ultrahigh-resolution mass spectrometry for the speciation of sulfur compounds.

Acter, Thamina / Solihat, Nissa Nurfajrin / Kim, Sungjune / Uddin, Nizam / Mustafa, Ahmad Ismail / Shamsuddin, Sayed Md / Kim, Sunghwan

Analytical and bioanalytical chemistry

2019 Volume 412, Issue 1, Page(s) 243–255

Abstract: We herein report the optimization and application of silver cationization ( ... ...

Abstract	We herein report the optimization and application of silver cationization (Ag
Language	English
Publishing date	2019-12-16
Publishing country	Germany
Document type	Journal Article
ZDB-ID	201093-8
ISSN	1618-2650 ; 0016-1152 ; 0372-7920
ISSN (online)	1618-2650
ISSN	0016-1152 ; 0372-7920
DOI	10.1007/s00216-019-02272-5
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