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1. Itinerant magnetism vis-\`a-vis structural phases in AlCuFeMn multi-principal-component medium entropy alloy

Author

Swarnakar, Palash, De, Partha Sarathi, and Roy, Amritendu

Subjects
Condensed Matter - Materials Science
Abstract

The exploration of multi-principal-component alloys (MPCAs) as potential functional materials in research is still in its early phase, with most studies centred on their potential application as structural materials. Magnetic materials possessing superior performance characteristics are essential for functional applications. Experimental observations and ab-initio density functional theory calculations were used to design and investigate an MPCA, AlCuFeMn, based on the medium-entropy effect. This study examines the microstructure evolution, phase formation, and soft magnetic behaviour of a cast and annealed AlCuFeMn MPCA. We conducted first-principles density-functional-theory (DFT) calculations to explain a selected multi-phase alloy's atomic, electronic, and magnetic structures at absolute zero temperature to understand the experimental findings better. We verified the predictions based on DFT by comparing them with the experimental observations. Despite the emphasis on equimolar compositions, the findings and conclusions of this study can enhance phase prediction and magnetic characteristics in non-equimolar alloys.

Published
2024

2. Understanding the phase stability in multi-principal-component AlCuFeMn alloy

Author

Swarnakar, Palash, Ghosh, M., Mahato, B., De, Partha Sarathi, and Roy, Amritendu

Subjects
Condensed Matter - Materials Science
Abstract

Method(s) that can reliably predict phase evolution across thermodynamic parameter space, especially in complex systems are of critical significance in academia as well as in the manufacturing industry. In the present work, phase stability in equimolar AlCuFeMn multi-principal-component alloy (MPCA) was predicted using complementary first-principles density functional theory (DFT) calculations, and ab-initio molecular dynamics (AIMD) simulations. Temperature evolution of completely disordered, partially ordered, and completely ordered phases was examined based on Gibbs free energy. Configurational, electronic, vibrational, and lattice mismatch entropies were considered to compute the Gibbs free energy of the competing phases. Additionally, elemental segregation was studied using ab-initio molecular dynamics (AIMD). The predicted results at 300K align well with room-temperature experimental observations using x-ray diffraction, scanning and transmission electron microscopy on a sample prepared using commercially available pure elements. The adopted method could help in predicting plausible phases in other MPCA systems with complex phase stability.

Published
2024

5. Clinical outcomes and bacterial characteristics of carbapenem-resistant Klebsiella pneumoniae complex among patients from different global regions (CRACKLE-2): a prospective, multicentre, cohort study

Author

Wang, Minggui, Earley, Michelle, Chen, Liang, Hanson, Blake M, Yu, Yunsong, Liu, Zhengyin, Salcedo, Soraya, Cober, Eric, Li, Lanjuan, Kanj, Souha S, Gao, Hainv, Munita, Jose M, Ordoñez, Karen, Weston, Greg, Satlin, Michael J, Valderrama-Beltrán, Sandra L, Marimuthu, Kalisvar, Stryjewski, Martin E, Komarow, Lauren, Luterbach, Courtney, Marshall, Steve H, Rudin, Susan D, Manca, Claudia, Paterson, David L, Reyes, Jinnethe, Villegas, Maria V, Evans, Scott, Hill, Carol, Arias, Rebekka, Baum, Keri, Fries, Bettina C, Doi, Yohei, Patel, Robin, Kreiswirth, Barry N, Bonomo, Robert A, Chambers, Henry F, Fowler, Vance G, Arias, Cesar A, van Duin, David, Investigators, Multi-Drug Resistant Organism Network, Abbo, Lilian M, Anderson, Deverick J, Chew, Kean Lee, Cross, Heather R, De, Partha Pratim, Desai, Samit, Dhar, Sorabh, Di Castelnuovo, Valentina, Diaz, Lorena, Dinh, AN Q, Eilertson, Brandon, Evans, Beth, Garcia-Diaz, Julia, Garner, Omai B, Greenwood-Quaintance, Kerryl, Hanson, Blake, Herc, Erica, Jacob, Jesse T, Jiang, Jianping, Kalayjian, Robert C, Kaye, Keith S, Kim, Angela, Lauterbach, Courtney, Marshall, Steven H, McCarty, Todd, Munita, Jose, Ng, Oon Tek, Gutierrez, Jose Millan Oñate, Peleg, Anton, Salata, Robert A, Schmidt-Malan, Suzannah, and Smitasin, Nares

Subjects
Pneumonia & Influenza, Lung, Clinical Research, Pneumonia, Infectious Diseases, Infection, Good Health and Well Being, Anti-Bacterial Agents, Bacteremia, Carbapenem-Resistant Enterobacteriaceae, Carbapenems, Cohort Studies, Humans, Klebsiella Infections, Klebsiella pneumoniae, Prospective Studies, Respiratory Sounds, Multi-Drug Resistant Organism Network Investigators, Clinical Sciences, Medical Microbiology, Public Health and Health Services, Microbiology
Abstract

BackgroundCarbapenem-resistant Klebsiella pneumoniae (CRKP) is a global threat. We therefore analysed the bacterial characteristics of CRKP infections and the clinical outcomes of patients with CRKP infections across different countries.MethodsIn this prospective, multicentre, cohort study (CRACKLE-2), hospitalised patients with cultures positive for CRKP were recruited from 71 hospitals in Argentina, Australia, Chile, China, Colombia, Lebanon, Singapore, and the USA. The first culture positive for CRKP was included for each unique patient. Clinical data on post-hospitalisation death and readmission were collected from health records, and whole genome sequencing was done on all isolates. The primary outcome was a desirability of outcome ranking at 30 days after the index culture, and, along with bacterial characteristics and 30-day all-cause mortality (a key secondary outcome), was compared between patients from China, South America, and the USA. The desirability of outcome ranking was adjusted for location before admission, Charlson comorbidity index, age at culture, Pitt bacteremia score, and anatomical culture source through inverse probability weighting; mortality was adjusted for the same confounders, plus region where relevant, through multivariable logistic regression. This study is registered at ClinicalTrials.gov, NCT03646227, and is complete.FindingsBetween June 13, 2017, and Nov 30, 2018, 991 patients were enrolled, of whom 502 (51%) met the criteria for CRKP infection and 489 (49%) had positive cultures that were considered colonisation. We observed little intra-country genetic variation in CRKP. Infected patients from the USA were more acutely ill than were patients from China or South America (median Pitt bacteremia score 3 [IQR 2-6] vs 2 [0-4] vs 2 [0-4]) and had more comorbidities (median Charlson comorbidity index 3 [IQR 2-5] vs 1 [0-3] vs 1 [0-2]). Adjusted desirability of outcome ranking outcomes were similar in infected patients from China (n=246), South America (n=109), and the USA (n=130); the estimates were 53% (95% CI 42-65) for China versus South America, 50% (41-61) for the USA versus China, and 53% (41-66) for the USA versus South America. In patients with CRKP infections, unadjusted 30-day mortality was lower in China (12%, 95% CI 8-16; 29 of 246) than in the USA (23%, 16-30; 30 of 130) and South America (28%, 20-37; 31 of 109). Adjusted 30-day all-cause mortality was higher in South America than in China (adjusted odds ratio [aOR] 4·82, 95% CI 2·22-10·50) and the USA (aOR 3·34, 1·50-7·47), with the mortality difference between the USA and China no longer being significant (aOR 1·44, 0·70-2·96).InterpretationGlobal CRKP epidemics have important regional differences in patients' baseline characteristics and clinical outcomes, and in bacterial characteristics. Research findings from one region might not be generalisable to other regions.FundingThe National Institutes of Health.

Published
2022

11. Whole genome sequencing reveals hidden transmission of carbapenemase-producing Enterobacterales

Author

Marimuthu, Kalisvar, Venkatachalam, Indumathi, Koh, Vanessa, Harbarth, Stephan, Perencevich, Eli, Cherng, Benjamin Pei Zhi, Fong, Raymond Kok Choon, Pada, Surinder Kaur, Ooi, Say Tat, Smitasin, Nares, Thoon, Koh Cheng, Tambyah, Paul Anantharajah, Hsu, Li Yang, Koh, Tse Hsien, De, Partha Pratim, Tan, Thean Yen, Chan, Douglas, Deepak, Rama Narayana, Tee, Nancy Wen Sim, Kwa, Andrea, Cai, Yiying, Teo, Yik-Ying, Thevasagayam, Natascha May, Prakki, Sai Rama Sridatta, Xu, Weizhen, Khong, Wei Xin, Henderson, David, Stoesser, Nicole, Eyre, David W., Crook, Derrick, Ang, Michelle, Lin, Raymond Tzer Pin, Chow, Angela, Cook, Alex R., Teo, Jeanette, and Ng, Oon Tek

Published
2022
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12. SG-APSIC1097: The impact of COVID-19 on the incidence of carbapenem-resistant Enterobacterales (CRE) in Singapore: An interrupted time-series analysis

Author

Chong Hui Clara Ong, Thoon Koh Cheng, Surinder Kaur M S Pada, Deepak Rama Narayana, Say Tat Ooi, Nares Smitasin, Kok Choon Raymond Fong, Tse Hsien Koh, Pei Zhi Benjamin Cherng, Raymond Lin, De Partha Pratim, Hsu Li Yang, Jeanette Teo, Oon Tek Ng, Indumathi Venkatachalam, and Kalisvar Marimuthu

Subjects
Infectious and parasitic diseases, RC109-216, Public aspects of medicine, RA1-1270
Abstract

Objectives: Over the past 2 years, many infection prevention and control (IPC) resources have been diverted to manage the COVID-19 pandemic. Its impact on the incidence of antimicrobial-resistant organisms has not been adequately studied. We investigated the impact of the pandemic on the incidence of carbapenem-resistant Enterobacterales (CRE) in Singapore. Methods: We extracted data on unique CRE isolates (clinical and/or surveillance cultures) and patient days for 6 public hospitals in Singapore from the carbapenemase-producing Enterobacteriaceae (CaPES) study group database, and we calculated the monthly incidence of CRE (per 10,000 patient days). Interrupted time-series (ITS) analysis was conducted with the pre–COVID-19 period defined as before February 2020, and the COVID-19 period defined as after February 2020. Statistical analyses were performed using Stata version 15 software. Results: From January 2017 to March 2021, 6,770 CRE isolates and 9,126,704 patient days were documented. The trend in CRE monthly incidence increased significantly during the pre–COVID-19 period (0.060; 95% CI, 0.033–0.094; P < .001) but decreased during the COVID-19 period (−0.183; 95% CI, −0.390 to 0.023; P = .080) without stepwise change in the incidence (−1.496; 95% CI, −3.477 to 0.485; P = .135). The trend in monthly incidence rate of CRE clinical cultures increased significantly during the pre–COVID-19 period (0.046; 95% CI, 0.028–0.064; P < .001) and decreased significantly during COVID-19 period (−0.148; 95% CI, −0.249 to −0.048; P = .048) with no stepwise change in the incidence (−0.063; 95% CI, −0.803 to 0.677; P = .864). The trend in monthly incidence rate of CRE surveillance cultures decreased during the pre–COVID-19 period (−0.020; 95% CI, −0.062 to 0.022; P = .341) and the COVID-19 period (−0.067; 95% CI, −0.291to 0.158; P = .552) without stepwise change in the incidence (−1.327; 95% CI, −3.535 to 0.881; P = .233). Conclusions: The rate of CRE in clinical cultures decreased during COVID-19 but not the rate in surveillance cultures. Further studies are warranted to study the impact of COVID-19 on CREs.

Published
2023
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13. Clinical outcomes and bacterial characteristics of carbapenem-resistant Klebsiella pneumoniae complex among patients from different global regions (CRACKLE-2): a prospective, multicentre, cohort study

Author

Abbo, Lilian M, Anderson, Deverick J, Arias, Rebekka, Arias, Cesar A, Baum, Keri, Bonomo, Robert A, Chambers, Henry F, Chen, Liang, Chew, Kean Lee, Cober, Eric, Cross, Heather R, De, Partha Pratim, Desai, Samit, Dhar, Sorabh, Di Castelnuovo, Valentina, Diaz, Lorena, Dinh, AN Q, Doi, Yohei, Earley, Michelle, Eilertson, Brandon, Evans, Beth, Evans, Scott, Fowler Jr, Vance G, Fries, Bettina C, Gao, Hainv, Garcia-Diaz, Julia, Garner, Omai B, Greenwood-Quaintance, Kerryl, Hanson, Blake, Herc, Erica, Hill, Carol, Jacob, Jesse T, Jiang, Jianping, Kalayjian, Robert C, Kanj, Souha S, Kaye, Keith S, Kim, Angela, Komarow, Lauren, Kreiswirth, Barry N, Lauterbach, Courtney, Li, Lanjuan, Liu, Zhengyin, Manca, Claudia, Marimuthu, Kalisvar, Marshall, Steven H, McCarty, Todd, Munita, Jose, Ng, Oon Tek, Oñate Gutierrez, Jose Millan, Ordoñez, Karen, Patel, Robin, Paterson, David L, Peleg, Anton, Reyes, Jinnethe, Rudin, Susan D, Salata, Robert A, Salcedo, Soraya, Satlin, Michael J, Schmidt-Malan, Suzannah, Smitasin, Nares, Spencer, Maria, Stryjewski, Martin, Su, Jiachun, Tambyah, Paul Ananth, Valderrama, Sandra, van Duin, David, Villegas Botero, Maria Virginia, Wang, Minggui, Waters, Mary, Weston, Greg, Wong, Darren, Wortmann, Glenn, Yang, Yang, Yu, Yunsong, Zhang, Fujie, Hanson, Blake M, Munita, Jose M, Valderrama-Beltrán, Sandra L, Stryjewski, Martin E, Luterbach, Courtney, Marshall, Steve H, Villegas, Maria V, and Fowler, Vance G, Jr

Published
2022
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14. Designer broad-spectrum polyimidazolium antibiotics

Author

Zhong, Wenbin, Shi, Zhenyu, Mahadevegowda, Surendra H., Liu, Bo, Zhang, Kaixi, Koh, Chong Hui, Ruan, Lin, Chen, Yahua, Zeden, Merve S., Pee, Carmen J. E., Marimuthu, Kalisvar, De, Partha Pratim, Ng, Oon Tek, Zhu, Yabin, Chi, Yonggui Robin, Hammond, Paula T., Yang, Liang, Gan, Yunn-Hwen, Pethe, Kevin, Greenberg, E. Peter, Gründling, Angelika, and Chan-Park, Mary B.

Published
2020

15. Phase partitioning in a novel near equi-atomic AlCuFeMn alloy

Author

Roy, Amritendu, Ghosh, Mainak, and De, Partha Sarathi

Subjects
Condensed Matter - Materials Science
Abstract

A novel low cost, near equi-atomic alloy comprising of Al, Cu, Fe and Mn is synthesized using arc-melting technique. The cast alloy possesses a dendritic microstructure where the dendrites consist of disordered FCC and ordered FCC phases. The inter-dendritic region is comprised of ordered FCC phase and spinodally decomposed BCC phases. A Cu segregation is observed in the inter-dendritic region while dendritic region is rich in Fe. The bulk hardness of the alloy is ~ 380 HV, indicating significant yield strength.

Published
2017

22. Understanding the phase stability in a multi-principal-component AlCuFeMn alloy.

Author

Swarnakar, Palash, Ghosh, M, Mahato, B, De, Partha Sarathi, and Roy, Amritendu

Subjects
SCANNING transmission electron microscopy, GIBBS' free energy, AB-initio calculations, DENSITY functional theory, MOLECULAR dynamics
Abstract

Method(s) that can reliably predict phase evolution across thermodynamic parameter space, especially in complex systems, are of critical significance in academia as well as in the manufacturing industry. In the present work, the phase stability in an equimolar AlCuFeMn multi-principal-component alloy (MPCA) was predicted using complementary first-principles density functional theory calculations and ab initio molecular dynamics (AIMD) simulations. The temperature evolution of completely disordered, partially ordered, and completely ordered phases was examined based on the Gibbs free energy. Configurational, electronic, vibrational, and lattice mismatch entropies were considered to compute the Gibbs free energy of the competing phases. Additionally, elemental segregation was studied using AIMD. The predicted results at 300 K align well with room-temperature experimental observations using x-ray diffraction and scanning and transmission electron microscopy on a sample prepared using commercially available pure elements. The adopted method could help in predicting plausible phases in other MPCA systems with complex phase stability. [ABSTRACT FROM AUTHOR]

Published
2024
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23. Author Correction: The higher prevalence of extended spectrum beta-lactamases among Escherichia coli ST131 in Southeast Asia is driven by expansion of a single, locally prevalent subclone

Author

Chen, Swaine L., Ding, Ying, Apisarnthanarak, Anucha, Kalimuddin, Shirin, Archuleta, Sophia, Omar, Sharifah Faridah Syed, De, Partha Pratim, Koh, Tse Hsien, Chew, Kean Lee, Atiya, Nadia, Suwantarat, Nuntra, Velayuthan, Rukumani Devi, Wong, Joshua Guo Xian, and Lye, David C.

Published
2021
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27. Evaluation of NG-Test CARBA 5 version 2, Cepheid Xpert Carba-R, and carbapenem inactivation methods in comparison to whole-genome sequencing for the identification of carbapenemases in non-fermenting Gram-negative bacilli

Author

Khoo, Bo Yan, primary, Hon, Pei Yun, additional, Leong, Janice, additional, Sai Rama Sridatta, Prakki, additional, Thevasagayam, Natascha May, additional, Loy, Song Qi Dennis, additional, Chua, Jasmine J. Y., additional, Ang, Brenda Sze Peng, additional, Chow, Angela, additional, Marimuthu, Kalisvar, additional, De, Partha Pratim, additional, Ng, Oon Tek, additional, and Vasoo, Shawn, additional

Published
2023
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36. Clinical and Molecular Epidemiology of Carbapenem-Resistant Enterobacteriaceae Among Adult Inpatients in Singapore

Author

Carbapenemase-Producing Enterobacteriaceae in Singapore (CaPES) Study Group, Marimuthu, Kalisvar, Venkatachalam, Indumathi, Khong, Wei Xin, Koh, Tse Hsien, Cherng, Benjamin Pei Zhi, Van La, My, De, Partha Pratim, Krishnan, Prabha Unny, Tan, Thean Yen, Choon, Raymond Fong Kok, Pada, Surinder Kaur, Lam, Choong Weng, Ooi, Say Tat, Deepak, Rama Narayana, Smitasin, Nares, Tan, Eng Lee, Lee, Jia Jun, Kurup, Asok, Young, Barnaby, Sim, Nancy Tee Wen, Thoon, Koh Cheng, Fisher, Dale, Ling, Moi Lin, Peng, Brenda Ang Sze, Teo, Yik-Ying, Hsu, Li Yang, Lin, Raymond Tzer Pin, Ong, Rick Twee-Hee, Teo, Jeanette, and Ng, Oon Tek

Published
2017

43. FSW of Aluminum Alloys

Author

Mishra, Rajiv Sharan, De, Partha Sarathi, Kumar, Nilesh, Mishra, Rajiv Sharan, De, Partha Sarathi, and Kumar, Nilesh

Published
2014
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47. Introduction

Author

Mishra, Rajiv Sharan, De, Partha Sarathi, Kumar, Nilesh, Mishra, Rajiv Sharan, De, Partha Sarathi, and Kumar, Nilesh

Published
2014
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48. Outbreak of Zika virus infection in Singapore: an epidemiological, entomological, virological, and clinical analysis

Author

Ho, Zheng Jie Marc, Hapuarachchi, Hapuarachchige Chanditha, Barkham, Timothy, Chow, Angela, Ng, Lee Ching, Lee, Jian Ming Vernon, Leo, Yee Sin, Prem, Kiesha, Lim, Yue Hui Georgina, de Sessions, Paola F, Rabaa, Maia A, Chong, Chee Seng, Tan, Cheong Huat, Rajarethinam, Jayanthi, Tan, Junhao, Anderson, Danielle E, Ong, Xinmei, Cook, Alex R, Chong, Chia Yin, Hsu, Li Yang, Yap, Grace, Lai, Yee Ling, Chawla, Tanu, Pan, Louise, Sim, Shuzhen, Chen, I-Cheng Mark, Thoon, Koh Cheng, Yung, Chee Fu, Li, Jia Hui, Ng, Hee Ling Deborah, Nandar, Khine, Ooi, Peng Lim, Lin, Raymond Tzer Pin, Aw, Pauline, Uehara, Anna, Pratim De, Partha, Soon, Wendy, Hibberd, Martin Lloyd, Ng, Huck Hui, Maurer-Stroh, Sebastian, and Sessions, October M

Published
2017
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50. Enantiomeric glycosylated cationic block co-beta-peptides eradicate Staphylococcus aureus biofilms and antibiotic-tolerant persisters

Author

Zhang, Kaixi, Du, Yu, Si, Zhangyong, Liu, Yang, Turvey, Michelle E., Raju, Cheerlavancha, Keogh, Damien, Ruan, Lin, Jothy, Subramanion L., Reghu, Sheethal, Marimuthu, Kalisvar, De, Partha Pratim, Ng, Oon Tek, Mediavilla, José R., Kreiswirth, Barry N., Chi, Yonggui Robin, Ren, Jinghua, Tam, Kam C., Liu, Xue-Wei, Duan, Hongwei, Zhu, Yabin, Mu, Yuguang, Hammond, Paula T., Bazan, Guillermo C., Pethe, Kevin, and Chan-Park, Mary B.

Published
2019
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