Publications by authors named "Rajeev Kumar"

760 Publications

Evaluation of cell-free seminal mRNA for the diagnosis of obstruction as the cause of azoospermia in infertile men: A prospective cohort study.

Andrologia 2022 Aug 9:e14364. Epub 2022 Aug 9.

Department of Urology, All India Institute of Medical Sciences, New Delhi, India.

Differentiating obstructive (OA) from non-obstructive (NOA) azoospermia is clinically important in managing infertile men. Classically, the differentiation has been based on clinical, hormonal and histological analysis. Histological tests are invasive and may miss spermatogenic areas. Seminal fluid can serve as a medium to assess the status of spermatogenesis and presence or absence of certain markers can help diagnosing and differentiating azoospermia. We evaluated the role of cell-free seminal markers: DDX4, PRM1 and PRM2 in diagnosing and differentiating between OA and NOA and classifying their subtypes. We observed DDX4 was more sensitive for NOA compared with OA. Among various subtypes of NOA, DDX4 positivity was higher in patients with maturation arrest and hypospermatogenesis compared with Sertoli cell only syndrome. PRM1 and PRM2 had very low positivity rate for any meaningful comparison. Seminal cell-free markers can serve as non-invasive tests in diagnosing and differentiating etiologies of azoospermia but their validity needs to be proved in long-term trials with more refined molecular techniques.
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http://dx.doi.org/10.1111/and.14364DOI Listing
August 2022

Recent trends in studies of biomolecular phase separation.

BMB Rep 2022 Jul 26. Epub 2022 Jul 26.

Department of chemistry, Pusan National University, Busan 46241, Republic of Korea.

Biomolecular phase separation has recently attracted broad interest, due to its role in the spatiotemporal compartmentalization of living cells. It governs the formation, regulation, and dissociation of biomolecular condensates, which play multiple roles in vivo, from activating specific biochemical reactions to organizing chromatin. Interestingly, biomolecular phase separation seems to be a mainly passive process, which can be explained by relatively simple physical principles and reproduced in vitro with a minimal set of components. This Mini review focuses on our current understanding of the fundamental principles of biomolecular phase separation and the recent progress in the research on this topic.
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July 2022

Characteristics of 100 consecutive patients with COVID-19 referred to consultation-liaison psychiatry services in Qatar: A comparison of patients with delirium versus other psychiatric diagnoses.

Qatar Med J 2022 17;2022(3):28. Epub 2022 Jun 17.

Psychiatry Hospital, Hamad Medical Corporation, Doha, Qatar E-mail:

Introduction: Coronavirus disease 2019 (COVID-19) can present with various neuropsychiatric manifestations. This study reports on patients with COVID-19 who were referred to the consultation-liaison (CL) psychiatry services in Qatar and compares the clinical and sociodemographic characteristics of those diagnosed with delirium versus other psychiatric diagnoses.

Methods: This is a retrospective review of the first 100 consecutive patients with COVID-19 who were referred to the CL services.

Results: Within the total cohort (n=100), most patients (92%) were male, and the mean age was 46 years. About 27% of patients had asymptomatic COVID-19, 35% had a past psychiatric history, and 48% reported pandemic related psychosocial stress. Delirium was the most common psychiatric diagnosis (n=29), followed by acute stress reaction/adjustment disorder, depression, mania, anxiety, non-affective psychosis, and dementia. Among patients with delirium, agitation was the most common symptom (76%), 86% were treated with psychotropic medications, and 17% died. Higher age, longer hospital stays, lower oxygen saturation, lower lymphocytic count, and higher C-reactive protein (CRP) values were significantly associated with delirium versus other psychiatric diagnoses. Higher age and lower oxygen saturations predicted delirium.

Conclusion: Delirium was associated with a range of clinical variables and had significant mortality, despite the relatively young age of the patients. COVID-19 should be considered in patients presenting with delirium. Finally, early identification and management of delirium should be integral to COVID-19 protocols.
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http://dx.doi.org/10.5339/qmj.2022.28DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9247886PMC
June 2022

Metabolic and Genetic Evaluation in Children with Nephrolithiasis.

Indian J Pediatr 2022 Jul 11. Epub 2022 Jul 11.

Division of Nephrology, Department of Pediatrics, ICMR Center for Advanced Research in Kidney Diseases, All India Institute of Medical Sciences, New Delhi, 110029, India.

Objective: To evaluate metabolic and genetic abnormalities in children with nephrolithiasis attending a referral center in North India.

Methods: The patients aged 1-18 y old with nephrolithiasis underwent biochemical evaluation and whole-exome sequencing. The authors evaluated for monogenic variants in 56 genes and compared allele frequency of 39 reported polymorphisms between patients and 1739 controls from the GenomeAsia 100 K database.

Results: Fifty-four patients, aged 9.1 ± 3.7 y were included. Stones were bilateral in 42.6%, familial in 33.3%, and recurrent in 25.9%. The most common metabolic abnormalities were hypercalciuria (35.2%), hyperoxaluria (24.1%), or both (11.1%), while xanthinuria (n = 3), cystinuria (n = 1), and hyperuricosuria (n = 1) were rare. Exome sequencing identified an etiology in 6 (11.1%) patients with pathogenic/likely pathogenic causative variants. Three variants in MOCOS and one in ATP7B were pathogenic; likely pathogenic variants included MOCOS (n = 2), AGXT, and SLC7A9 (n = 1, each). Causality was not attributed to two SLC34A1 likely pathogenic variants, due to lack of matching phenotype and dominant family history. Compared to controls, allele frequency of the polymorphism TRPV5 rs4252402 was significantly higher in familial stone disease (allele frequency 0.47 versus 0.53; OR 3.2, p = 0.0001).

Conclusion: The chief metabolic abnormalities were hypercalciuria and hyperoxaluria. A monogenic etiology was identified in 11% with pathogenic or likely pathogenic variants using a gene panel for nephrolithiasis. Heterozygous missense variants in the sodium-phosphate cotransporter SLC34A1 were common and required evaluation for attributing pathogenicity. Rare polymorphisms in TRPV5 might increase the risk of familial stones. These findings suggest that a combination of metabolic and genetic evaluation is useful for determining the etiology of nephrolithiasis.
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http://dx.doi.org/10.1007/s12098-022-04234-9DOI Listing
July 2022

Biophysical and Computational Approaches to Unravel pH-Dependent Conformational Change of PspA Assist PspA-PspF Complex Formation in Yersinia enterocolitica.

Protein J 2022 Jun 16;41(3):403-413. Epub 2022 Jun 16.

Structural Biology and Bioinformatics Division, Council of Scientific and Industrial Research - Indian Institute of Chemical Biology, 4, Raja S. C. Mullick Road, Jadavpur, Kolkata, West Bengal, 700032, India.

In enteropathogen, Yersinia enterocolitica, the genes encoding phage shock proteins are organized in an operon (pspA-E), which is activated at the various types of cellular stress (i.e., extracytoplasmic or envelop stress) whereas, PspA negatively regulates PspF, a transcriptional activator of pspA-E and pspG, and is also involved in other cellular machinery maintenance processes. The exact mechanism of association and dissociation of PspA and PspF during the stress response is not entirely clear. In this concern, we address conformational change of PspA in different pH conditions using various in-silico and biophysical methods. At the near-neutral pH, CD and FTIR measurements reveal a ß-like conformational change of PspA; however, AFM measurement indicates the lower oligomeric form at the above-mentioned pH. Additionally, the results of the MD simulation also support the conformational changes which indicate salt-bridge strength takes an intermediate position compared to other pHs. Furthermore, the bio-layer interferometry study confirms the stable complex formation that takes place between PspA and PspF at the near-neutral pH. It, thus, appears that PspA conformational change in adverse pH conditions abandons PspF from having a stable complex with it, and thus, the latter can act as a trans-activator. Taken together, it seems that PspA alone can transduce adverse signals by changing its conformation.
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http://dx.doi.org/10.1007/s10930-022-10061-wDOI Listing
June 2022

Retrospective analysis of IgG4-related disease cases at a tertiary care centre in India.

Reumatologia 2022 10;60(1):4-11. Epub 2022 Feb 10.

Department of Medicine, All India Institute of Medical Sciences, New Delhi, India.

Objectives: IgG4-related disease (IgG4-RD) is a chronic inflammatory disorder with prominent fibrosis. This retrospective analysis was undertaken to study the clinical, laboratory, and radiological characteristics of patients with extra-pancreatic IgG4-RD and their response to treatment at a tertiary care centre located in northern India.

Material And Methods: Patient data from our centre between January 2017 and January 2021 were reviewed. Probable/definite IgG4-RD cases were included in the analysis.

Results: A total of 14 cases were identified with a median age of 39 years (range 19-56 years). There were 10 males and 4 females. All patients presented with slowly progressive soft tissue swellings with pain/discomfort related to local mass effect. The median delay in diagnosis was 9.5 months (range 2-72 months). Cross-sectional imaging showed soft tissue masses in all cases. All contrast-enhanced studies ( = 7) showed enhancement on computed tomography and magnetic resonance imaging scan. F-18 fluorodeoxyglucose-avidity was observed in 8 of 9 (88.9%) cases. Biopsies performed in 12 of these were classified as definite in 8 and possible IgG4-RD in 4 cases. Patients were treated with a median dose of 1 mg/kg/day (range 0.5-1 mg/kg/day) prednisolone. Steroids were successfully tapered in all 12 cases with 41.6% (5 of 12) being off corticosteroids at a median follow-up of 10 months (range 0-18 months). Two patients were lost to follow-up.

Conclusions: IgG4-related disease is a chronic illness with a wide spectrum of manifestations, in which the diagnosis is often delayed, but it shows an excellent response to treatment. Efforts must be made to increase awareness among physicians about this disease to institute appropriate treatment as early as possible.
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http://dx.doi.org/10.5114/reum.2022.113517DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9132119PMC
February 2022

Repair of DNA double-strand breaks in plant meiosis: role of eukaryotic RecA recombinases and their modulators.

Plant Reprod 2022 Jun 1. Epub 2022 Jun 1.

Institut Jean-Pierre Bourgin (IJPB), Université Paris-Saclay, INRAE, AgroParisTech, 78000, Versailles, France.

Homologous recombination during meiosis is crucial for the DNA double-strand breaks (DSBs) repair that promotes the balanced segregation of homologous chromosomes and enhances genetic variation. In most eukaryotes, two recombinases RAD51 and DMC1 form nucleoprotein filaments on single-stranded DNA generated at DSB sites and play a central role in the meiotic DSB repair and genome stability. These nucleoprotein filaments perform homology search and DNA strand exchange to initiate repair using homologous template-directed sequences located elsewhere in the genome. Multiple factors can regulate the assembly, stability, and disassembly of RAD51 and DMC1 nucleoprotein filaments. In this review, we summarize the current understanding of the meiotic functions of RAD51 and DMC1 and the role of their positive and negative modulators. We discuss the current models and regulators of homology searches and strand exchange conserved during plant meiosis. Manipulation of these repair factors during plant meiosis also holds a great potential to accelerate plant breeding for crop improvements and productivity.
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http://dx.doi.org/10.1007/s00497-022-00443-6DOI Listing
June 2022

Adrenal insufficiency.

J Clin Pathol 2022 Jul 9;75(7):435-442. Epub 2022 May 9.

Clinical Biochemistry, Bedfordshire Hospitals NHS Foundation Trust, Bedford, UK.

Adrenal insufficiency (AI), first described by Thomas Addison in 1855, is characterised by inadequate hormonal production by the adrenal gland, which could either be primary, due to destruction of the adrenal cortex, or secondary/tertiary, due to lack of adrenocorticotropic hormone or its stimulation by corticotropin-releasing hormone. This was an invariably fatal condition in Addison's days with most patients dying within a few years of diagnosis. However, discovery of cortisone in the 1940s not only improved the life expectancy of these patients but also had a dramatic effect on their overall quality of life. The diagnosis, easily confirmed by demonstrating inappropriately low cortisol secretion, is often delayed by months, and many patients present with acute adrenal crisis. Sudden withdrawal from chronic glucocorticoid therapy is the most common cause of AI. Currently, there remains a wide variation in the management of this condition across Europe. As primary AI is a relatively rare condition, most medical specialists will only manage a handful of these patients in their career. Despite many advances in recent years, there is currently no curative option, and modern cortisol replacement regimens fail to adequately mimic physiological cortisol rhythm. A number of new approaches including allograft of adrenocortical tissue and stem cell therapy are being tried but remain largely experimental.
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http://dx.doi.org/10.1136/jclinpath-2021-207895DOI Listing
July 2022

Effects of local order parameter dependent transport coefficient in diblock copolymers under applied electric fields.

J Chem Phys 2022 May;156(17):174903

Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.

We present an approach for constructing thermodynamically consistent time-dependent models relevant to thin films of diblock copolymers in applied electric fields. The approach is based on the principles of linear irreversible thermodynamics, and, in this work, it is applied to study the effects of electric fields on thin films of incompressible diblock copolymers. Enforcement of local incompressibility constraint at all times leads to a local order parameter dependent transport coefficient in the model for the diblock copolymers. The dependence of the transport coefficient on the local order parameter is used to relate it with the diffusion constant of Rouse chains and leads to sensitivity of the model to initial conditions. In addition, transient behavior is found to be affected when compared with an ad hoc model assuming a constant transport coefficient. Numerical results such as electric field induced alignment of lamellae domains due to the field are found to be in qualitative agreement with experiments. This approach opens up a systematic way of developing kinetic models for simulating effects of electrolytes added to thin films containing diblock copolymers in the presence of applied electric fields.
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http://dx.doi.org/10.1063/5.0089797DOI Listing
May 2022

Effective removal of Pb(II) and Ni(II) ions by Bacillus cereus and Bacillus pumilus: An experimental and mechanistic approach.

Environ Res 2022 09 22;212(Pt B):113337. Epub 2022 Apr 22.

Department of Chemistry¸ Maharishi Markandeshwar (Deemed to Be University), Mullana (Ambala), 133207, Haryana, India.

Herein, we report a bacteria-based strategy as an efficient, reasonable, benign, and promising methodology for remediating heavy metals fed waterbodies. The contemporary study deals with isolating, screening, and characterizing heavy metal resistive bacteria from metal-rich sites. The transcriptome analysis reveals the identity of the isolated species as Bacillus pumilus and Bacillus cereus. Batch studies put forth the bioremoval results in designed conditions of different pH, concentration, dose, and time. The mechanistic actions are drawn using complementary techniques such as Scanning Electron Microscopy (SEM) and Fourier Transform Infrared Spectroscopy (FTIR). The theory of surface adsorption of lead (Pb(II)) and nickel (Ni(II)) is further fostered by the application of adsorption isotherms. The conducted studies establish the bacterial morphological stratagems and multifarious biochemical approaches for countering metallic ions of Pb(II) and Ni(II). The exhibition of significant removal results by the isolated bacterial strains in simulated water samples with remarkable proliferation rates has opened up its favorability for industrial platforms.
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http://dx.doi.org/10.1016/j.envres.2022.113337DOI Listing
September 2022

Unusual High Hardness and Load-Dependent Mechanical Characteristics of Hydrogenated Carbon-Nitrogen Hybrid Films.

ACS Appl Mater Interfaces 2022 May 22;14(17):20220-20229. Epub 2022 Apr 22.

Department of Mechanical and Industrial Engineering, University of Illinois at Chicago, Chicago, Illinois 60607, United States.

Mechanical components are exposed to a rigorous environment in a number of applications including engineering, aerospace, and automobiles. Thus, their service lifetime and reliability are always on the verge of risk. Protective coatings with high hardness are required to enhance their service lifetime and minimize the replacement cost and waste burden. Hydrogenated amorphous carbon including nitrogen-incorporated films, that are commonly deposited by plasma-enhanced chemical vapor deposition, are widely used for commercial protective coating applications. However, their mechanical hardness still falls into the moderate hard regime. This needs to be substantially enhanced for advanced applications. Here, we report the synthesis of very hard nanostructured hydrogenated carbon-nitrogen hybrid (n-C:H:N) films. The optimized n-C:H:N film displays a hardness of about 36 GPa, elastic modulus of 360 GPa, and reasonably good elastic recovery (ER) of 62.7%. The mechanical properties of n-C:H:N films are further tailored when nitrogen pressure is tuned during the growth. The realized remarkably improved mechanical properties are correlated with the films' structural properties and experimental growth conditions. We also conducted density functional theory calculations that show the trend for the elastic modulus of the amorphous carbon films with varying nitrogen concentrations matches well with experimentally measured values. Finally, we probed load-dependent mechanical properties of n-C:H:N films and found an anomalous behavior; some of the mechanical parameters, for instance, ER, reveal an irregular trend with indentation load, which we explain in the framework of the film-substrate composite concept. Overall, this work uncovers many unknown and exciting mechanical phenomena that could pave the way for new technological developments.
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http://dx.doi.org/10.1021/acsami.2c01508DOI Listing
May 2022

In Reference to Radiological Findings in Laryngeal Anterior Commissure Invasion: CT Scan Highlights.

Laryngoscope 2022 07 19;132(7):E27. Epub 2022 Apr 19.

Department of Oto-Rhino-Laryngology and Head and Neck Surgery, All India Institute of Medical Sciences, New Delhi, India.

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http://dx.doi.org/10.1002/lary.30139DOI Listing
July 2022

An evaluation of liver function tests in severe acute respiratory syndrome - Corona virus 2 (SARS-CoV-2) infection in the backdrop of chronic kidney disease.

J Family Med Prim Care 2022 Feb 16;11(2):751-757. Epub 2022 Feb 16.

Department of Biochemistry, ABVIMS and Dr. RML Hospital, New Delhi, India.

Background: The SARS-CoV-2 pandemic has emerged as the most challenging global health problem of this century. The concomitant presence of co-morbidities like chronic kidney disease (CKD), diabetes, CHD, further complicates the problem.

Aim: To assess the patterns of LFT abnormalities in patients of SARS-CoV-2 infection with and without CKD and evaluate the probable outcomes.

Materials And Methods: A cross-sectional retrospective observational study done on 600 patient samples (Group 1: SARS-CoV-2 without CKD, Group 2: SARS-CoV-2 with CKD and Group 3: CKD uninfected with SARS-CoV-2) which were processed for LFT and KFT.

Results: AST and ALT were significantly higher in all SARS-CoV-2 infected; Group 1 mean ± 2SD, (63.63 ± 42.89U/L & 50.25 ± 46.53U/L), group 2 (90.59 ± 62.51U/L & 72.09 ± 67.24 U/L) as compared to Group 3 (25.24 ± 7.47U/L & 24.93 ± 11.44U/L). A statistically significant elevation is seen in these two parameters in Group 2 as compared to Group 1. There was a negative significant correlation between eGFR and AST/ALT levels in Group 1 ( < 0.05). In Group 2, a weak positive correlation was seen with ALT. Group 3, eGFR's showed strong correlations with AST and ALT levels; reduction in kidney function correlated well with increase in serum ALP levels.

Conclusions: This study establishes that SARS-CoV-2 infected, with CKD, show higher elevations in serum aminotransferase levels in comparison to those without CKD. In contrast, the CKD group not infected, shows a decline in serum aminotransferase levels. Serum ALT values in SARS-CoV-2 show significant correlation with eGFR. Also, elevated ALP values in CKD patients may be used as an indicator of declining kidney function.
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http://dx.doi.org/10.4103/jfmpc.jfmpc_1594_21DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8963642PMC
February 2022

Comparative evaluation of glidescope videolaryngosocope and conventional macintosh laryngoscope for nasotracheal intubation in patients undergoing oropharyngeal cancer surgeries: A prospective randomized study.

J Anaesthesiol Clin Pharmacol 2021 Oct-Dec;37(4):542-547. Epub 2021 Nov 25.

Department of Onco-Anesthesiology and Palliative Medicine, BRAIRCH, AIIMS, Ansari Nagar, New Delhi, India.

Background And Aims: Nasotracheal intubation in oropharyngeal cancer patients is challenging owing to anatomical alterations. Various videolaryngoscopes have been compared to conventional laryngoscope and also amongst each other in different clinical scenarios; the supremacy of videolaryngoscopes over conventional laryngoscope in oropharyngeal cancer patients is yet to be established. We compared the efficacy of glidescope videolaryngoscopes and Macintosh laryngoscope for nasotracheal intubation in patients posted for routine oropharyngeal cancer.

Material And Methods: 120 ASA I and II oropharyngeal cancer patients scheduled for elective surgery were randomized to undergo nasotracheal intubation after induction of general anesthesia with glide scope video laryngoscope (Group GVL, N = 60) or Macintosh laryngoscope (Group L, N = 60) as per group allocation. Time to glottic view, total intubation time (primary objective), hemodynamic fluctuations, and additional manoeuvres to aid intubation were recorded.

Results: Time to visualize the glottic opening (9.20 ± 4.6 sec vs 14.8 ± 6.3 sec) ( = 0.000) and the total intubation time was significantly less in group GVL (35.6 ± 9.57 sec vs 42.2 ± 11 sec) ( = 0.001). Glidescope videolaryngosocpe provided better glottic views and resulted in significantly fewer manoeuvres to facilitate NTI ( = 0.009). The median numeric rating scale (NRS), hemodynamic parameters and complications were similar in both the groups.

Conclusion: Glidescope videolaryngosocpe is better than conventional Macintosh laryngoscope for intubation times and need of manoeuvres to facilitate intubation and should be a preferred device for NTI in patients with oropharyngeal cancer.
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http://dx.doi.org/10.4103/joacp.JOACP_30_20DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8944373PMC
November 2021

Plant Secondary Metabolites as Defense Tools against Herbivores for Sustainable Crop Protection.

Int J Mol Sci 2022 Feb 28;23(5). Epub 2022 Feb 28.

Indian Council of Agricultural Research-Indian Institute of Vegetable Research (IIVR), Varanasi 221305, India.

Plants have evolved several adaptive strategies through physiological changes in response to herbivore attacks. Plant secondary metabolites (PSMs) are synthesized to provide defensive functions and regulate defense signaling pathways to safeguard plants against herbivores. Herbivore injury initiates complex reactions which ultimately lead to synthesis and accumulation of PSMs. The biosynthesis of these metabolites is regulated by the interplay of signaling molecules comprising phytohormones. Plant volatile metabolites are released upon herbivore attack and are capable of directly inducing or priming hormonal defense signaling pathways. Secondary metabolites enable plants to quickly detect herbivore attacks and respond in a timely way in a rapidly changing scenario of pest and environment. Several studies have suggested that the potential for adaptation and/or resistance by insect herbivores to secondary metabolites is limited. These metabolites cause direct toxicity to insect pests, stimulate antixenosis mechanisms in plants to insect herbivores, and, by recruiting herbivore natural enemies, indirectly protect the plants. Herbivores adapt to secondary metabolites by the up/down regulation of sensory genes, and sequestration or detoxification of toxic metabolites. PSMs modulate multi-trophic interactions involving host plants, herbivores, natural enemies and pollinators. Although the role of secondary metabolites in plant-pollinator interplay has been little explored, several reports suggest that both plants and pollinators are mutually benefited. Molecular insights into the regulatory proteins and genes involved in the biosynthesis of secondary metabolites will pave the way for the metabolic engineering of biosynthetic pathway intermediates for improving plant tolerance to herbivores. This review throws light on the role of PSMs in modulating multi-trophic interactions, contributing to the knowledge of plant-herbivore interactions to enable their management in an eco-friendly and sustainable manner.
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http://dx.doi.org/10.3390/ijms23052690DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8910576PMC
February 2022

Exploring the Potential of Natural Product-Based Nanomedicine for Maintaining Oral Health.

Molecules 2022 Mar 7;27(5). Epub 2022 Mar 7.

Department of Pharmaceutics, School of Pharmaceutical Sciences, Delhi Pharmaceutical Sciences and Research University, Sector-3, M.B. Road, PushpVihar, New Delhi 110017, India.

Oral diseases pose a major threat to public health across the globe. Diseases such as dental caries, periodontitis, gingivitis, halitosis, and oral cancer affect people of all age groups. Moreover, unhealthy diet practices and the presence of comorbidities aggravate the problem even further. Traditional practices such as the use of miswak for oral hygiene and cloves for toothache have been used for a long time. The present review exhaustively explains the potential of natural products obtained from different sources for the prevention and treatment of dental diseases. Additionally, natural medicine has shown activity in preventing bacterial biofilm resistance and can be one of the major forerunners in the treatment of oral infections. However, in spite of the enormous potential, it is a less explored area due to many setbacks, such as unfavorable physicochemical and pharmacokinetic properties. Nanotechnology has led to many advances in the dental industry, with various applications ranging from maintenance to restoration. However, can nanotechnology help in enhancing the safety and efficacy of natural products? The present review discusses these issues in detail.
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http://dx.doi.org/10.3390/molecules27051725DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8911592PMC
March 2022

Role of Magnesium Supplementation in Children with West Syndrome: A Randomized Controlled Clinical Trial.

Iran J Child Neurol 2022 1;16(1):65-75. Epub 2022 Jan 1.

R.M.L. Institute of Medical Sciences, Lucknow, India.

Objectives: West syndrome is a severe epileptic encephalopathy of young age. It is characterized by a clinico-electrical triad of infantile epileptic spasms, regression or arrest of psychomotor development, and hypsarrhythmia. In the last two decades, the large progress in the development of newer antiepileptic drugs has allowed us to have a vast choice of treatment options to control spasms, although they often fail to do so. Thus, there is a need to explore other treatment options.

Materials & Methods: Subjects in this open-labelled randomized control trial were included newly diagnosed children of age between 3 months and 5 years of both genders. A total of 52 children were recruited and randomized into two groups: an intervention group (n=30) and a non-intervention group (n=22). Magnesium sulphate was provided for the intervention group but not for the non-intervention one. Both groups received the rest of the treatments, including adrenocorticotropic hormone and antiepileptic drugs. The follow-up period was three months, at the end of which a per-protocol analysis was performed.

Results: There was no significant difference in seizure control and neurodevelopmental outcome between both groups, but electroencephalogram significantly improved in the intervention group compared to the control. Also, the clinical response was better in patients with normal initial serum magnesium levels in the intervention group (p=0.003) than in other patients.

Conclusion: Magnesium supplementation may be helpful in children with West syndrome.
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http://dx.doi.org/10.22037/ijcn.v16i1.30480DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8752995PMC
January 2022

Genomic Selection: A Tool for Accelerating the Efficiency of Molecular Breeding for Development of Climate-Resilient Crops.

Front Genet 2022 9;13:832153. Epub 2022 Feb 9.

ICAR- National Bureau of Plant Genetic Resources, New Delhi, India.

Since the inception of the theory and conceptual framework of genomic selection (GS), extensive research has been done on evaluating its efficiency for utilization in crop improvement. Though, the marker-assisted selection has proven its potential for improvement of qualitative traits controlled by one to few genes with large effects. Its role in improving quantitative traits controlled by several genes with small effects is limited. In this regard, GS that utilizes genomic-estimated breeding values of individuals obtained from genome-wide markers to choose candidates for the next breeding cycle is a powerful approach to improve quantitative traits. In the last two decades, GS has been widely adopted in animal breeding programs globally because of its potential to improve selection accuracy, minimize phenotyping, reduce cycle time, and increase genetic gains. In addition, given the promising initial evaluation outcomes of GS for the improvement of yield, biotic and abiotic stress tolerance, and quality in cereal crops like wheat, maize, and rice, prospects of integrating it in breeding crops are also being explored. Improved statistical models that leverage the genomic information to increase the prediction accuracies are critical for the effectiveness of GS-enabled breeding programs. Study on genetic architecture under drought and heat stress helps in developing production markers that can significantly accelerate the development of stress-resilient crop varieties through GS. This review focuses on the transition from traditional selection methods to GS, underlying statistical methods and tools used for this purpose, current status of GS studies in crop plants, and perspectives for its successful implementation in the development of climate-resilient crops.
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http://dx.doi.org/10.3389/fgene.2022.832153DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8864149PMC
February 2022

Reflectance based non-destructive determination of colour and ripeness of tomato fruits.

Physiol Mol Biol Plants 2022 Jan 7;28(1):275-288. Epub 2022 Feb 7.

Division of Agricultural Physics, ICAR-Indian Agricultural Research Institute (IARI), New Delhi, Delhi 110012 India.

The preference and quality of tomato fruit are primarily determined by its apparent colour and appearance. Non-destructive and rapid methods for assessment of tomato colour and ripeness are therefore of immense significance. This study was conducted to identify reflectance-based indices and to develop models for the non-destructive determination of colour and ripeness (maturity) of tomato fruits. Tomato fruits of two varieties and two hybrids, representing different ripening stages were investigated. Fruits were either harvested directly from the plants or they were picked up from the lots stored at 25 °C. Reflectance from individual fruit was recorded in a spectrum ranging from 350 to 2500 nm. These fruits at different ripening stages were ranked on a relative ripening score (0.0-8.5). Obtained data (reflectance and ripening score) were subjected to chemometric analysis. In total, six models were developed. The first-best model was based on the index R (reflectance at wavelength 521 nm) i.e., y (colour/ripeness) =  - 2.456 ln (x) - 1.093 where x is R. This model had a root mean standard error of prediction (RMSEP) ≥ 0.86 and biasness =  - 0.09. The second-best model y = 2.582 ln (x) - 0.805 was based on the index R (x) and had RMSEP ≥ 0.89 and biasness = 0.10. Models could bifurcate tomatoes into basic ripening stages and also red and beyond red tomato fruits from other stages across the varieties/hybrids and ripening conditions [for plant harvested (fresh) and stored (aged) fruits]. Findings will prove useful in developing simple and thereby cost-effective tools for rapid screening/sorting of tomato fruits based on their colour or ripeness not only for basic research (phenotyping) but also for the purpose of processing, value-addition, and pharmaceutical usages.

Supplementary Information: The online version contains supplementary material available at 10.1007/s12298-022-01126-2.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8847509PMC
January 2022

Raised prostate-specific antigen alone may not be a true predictor in high-risk prostate cancer: A retrospective cohort analysis.

Indian J Urol 2022 Jan-Mar;38(1):22-28. Epub 2022 Jan 1.

Department of Urology, All India Institute of Medical Sciences, New Delhi, India.

Introduction: Prostate-specific antigen (PSA) >20 ng/mL in isolation is a criterion for classification as "high-risk" prostate cancer (PCa). However, among Indian men, PSA elevation is often seen even in the absence of PCa and patients with PSA as the sole criterion for the high-risk disease may have different outcomes from those categorized as high risk due to adverse pathological features. We compared the operative, oncological, and functional outcomes after robot-assisted radical prostatectomy (RARP) in men with high-risk PCa categorized using PSA alone versus clinical and histopathological findings.

Materials And Methods: In an Institute Review Board-approved study, men undergoing RARP with high-risk PCa with at least 2-year follow-up were categorized into those with PSA >20 ng/ml being the sole criteria for being high risk (Group A) versus those with Gleason score ≥8 or ≥T2c disease but any PSA level (Group B). The two groups were compared for perioperative, oncological, and functional outcomes.

Results: Fifty-three patients with high-risk disease were included. Twenty-six patients (48.9%) were classified into Group A while 27 patients (50.9%) were classified into Group B. The median PSA was significantly higher in Group A (31 [26-35] ng/ml in Group A vs. 21 [12-34] ng/ml in Group B, = 0.006) and on histopathology of radical prostatectomy specimen, 24 (92.3%) patients had GG ≤3 disease in Group A versus 10 (37%) patients in Group B ( < 0.001). Patients in both the groups had similar perioperative and continence outcomes. However, Group A had significantly lower biochemical recurrence rate (3/26 [11.5%]) as compared to Group B (11/27 [40.7%]) ( = 0.012).

Conclusions: PSA >20 ng/ml is the single most common criterion for stratification as high-risk PCa. However, men with PSA >20 ng/ml in isolation, without another adverse criterion, have better outcomes than men with adverse clinical or pathological criteria for high-risk disease.
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http://dx.doi.org/10.4103/iju.iju_368_21DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8796766PMC
January 2022

Surveys in urology.

Authors:
Rajeev Kumar

Indian J Urol 2022 Jan-Mar;38(1):1-2

Editor, Indian Journal of Urology, Department of Urology, All India Institute of Medical Sciences, New Delhi, India.

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http://dx.doi.org/10.4103/iju.iju_455_21DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8796763PMC
February 2022

Multiparametric Magnetic Resonance Imaging, Ga Prostate-Specific Membrane Antigen Positron Emission Tomography-Computed Tomography, and Respective Quantitative Parameters in Detection and Localization of Clinically Significant Prostate Cancer in Intermediate- and High-Risk Group Patients: An Indian Demographic Study.

Indian J Nucl Med 2021 Oct-Dec;36(4):362-370. Epub 2021 Dec 15.

Department of Radiodiagnosis, All Indian Institute of Medical Sciences, New Delhi, India.

Objectives: The objective of this study was to evaluate the diagnostic accuracy of multiparametric magnetic resonance imaging (mpMRI) and Ga prostate-specific membrane antigen positron emission tomography-computed tomography (PSMA PET-CT) and respective quantitative parameters (K - influx rate contrast, K - efflux rate constant, ADC - apparent diffusion coefficient, and SUVmax ratio - prostate SUVmax to background SUVmax ratio) in detection and localization of clinically significant prostate cancer (CSPCa) in D'Amico intermediate- and high-risk group patients (prostate-specific antigen [PSA] >10 ng/ml).

Methodology: The study included thirty-three consecutive adult men with serum prostate specific antigen >10ng/ml, and systematic 12 core prostate biopsy proven prostate cancer. All the 33 patients, were evaluated with mpMRI, and Ga PSMA PET-CT. The biopsy specimens and imaging were evaluated for 12 sectors per prostate by a predetermined scheme.

Results: MpMRI Prostate Imaging Reporting and Data System version 2 (PI-RADS v2) score ≥3 showed higher sensitivity than Ga PSMA PET-CT (96.3% vs. 82.4%), with similar specificity (54.5% vs. 54.5%) ( = 33 patients, 396 sectors). Combined use of MRI and Ga PSMA PET-CT in parallel increased sensitivity (99.5%) and NPV (98.7%) for detection of CSPCa and combined use of MRI and Ga PSMA PET-CT in series increased specificity (71.8%) and PPV (71.5%) ( = 33 patients, 396 sectors). ADC showed a strong negative correlation with Gleason score (r = -0.77), and the highest discriminative ability for detection and localization of CSPCa (area under curve [AUC]: 0.91), followed by K ( = 0.74; AUC: 0.89), PI-RADS (0.73; 0.86), SUVmax ratio (0.49; 0.74), and K (0.24; 0.66).

Conclusion: MpMRI PI-RADS v2 score and Ga PSMA PET-CT (individually as well as in combination) are reliable tool for detection and localization of CSPCa. Quantitative MRI and Ga PSMA PET-CT parameters have potential to predict Gleason score and detect CSPCa.
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http://dx.doi.org/10.4103/ijnm.ijnm_80_21DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8771078PMC
December 2021

N-Acetylcysteine Supplementation for the Prevention of Postoperative Liver Dysfunction after On-Pump Cardiac Surgery.

Turk J Anaesthesiol Reanim 2021 Dec;49(6):460-469

Department of Cardiothoracic and Vascular Surgery, Dr Ram Manohar Lohia Institute of Medical Sciences, Lucknow, India.

Introduction: Incidence of postoperative liver dysfunction continues to be high (ranging from 10-35%) in those who underwent cardiac surgeries using cardiopulmonary bypass (CPB) and is associated with considerable morbidity and mortality. Prolonged cardiopulmonary bypass time (CPBT) was found to be an independent predictor of postoperative liver dysfunction. So, the aim of the study was to evaluate the effect of prophylactic use of N-acetylcysteine (NAC) in patients undergoing on-pump cardiac surgery with expected prolonged CPBT in prevention of liver dysfunction.

Methods: 60 consenting adult patients undergoing cardiac surgeries using CPB with CPBT more than 120 mins were included in this single-centre, randomized, parallel-group, double blind interventional study. Study group patients received NAC as per protocol. Liver transferases, alkaline phosphatase, serum bilirubin, kidney function tests and coagulation parameters were measured preoperatively, on the day of surgery and for three days postoperatively.

Results: Values for serum ALT, AST and ALP were significantly raised in the control group compared to the study group, starting from the day of surgery till 3rd postoperative day. Serum bilirubin level (total and direct) were comparable till first postoperative day and were significantly raised on second and third postoperative days in the control group. Duration of mechanical ventilation, total chest tube drainage, duration of ICU and hospital stay were significantly shorter in study group compared to control group.

Conclusion: Prophylactic intravenous NAC has a protective role in preventing postoperative hepatic dysfunction in patients undergoing cardiac surgery with cardiopulmonary bypass.
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http://dx.doi.org/10.5152/TJAR.2021.21370DOI Listing
December 2021

Genomics Associated Interventions for Heat Stress Tolerance in Cool Season Adapted Grain Legumes.

Int J Mol Sci 2021 Dec 30;23(1). Epub 2021 Dec 30.

Faculty of Agriculture, C.S.S.S.P.G College, Meerut 250106, India.

Cool season grain legumes occupy an important place among the agricultural crops and essentially provide multiple benefits including food supply, nutrition security, soil fertility improvement and revenue for farmers all over the world. However, owing to climate change, the average temperature is steadily rising, which negatively affects crop performance and limits their yield. Terminal heat stress that mainly occurred during grain development phases severely harms grain quality and weight in legumes adapted to the cool season, such as lentils, faba beans, chickpeas, field peas, etc. Although, traditional breeding approaches with advanced screening procedures have been employed to identify heat tolerant legume cultivars. Unfortunately, traditional breeding pipelines alone are no longer enough to meet global demands. Genomics-assisted interventions including new-generation sequencing technologies and genotyping platforms have facilitated the development of high-resolution molecular maps, QTL/gene discovery and marker-assisted introgression, thereby improving the efficiency in legumes breeding to develop stress-resilient varieties. Based on the current scenario, we attempted to review the intervention of genomics to decipher different components of tolerance to heat stress and future possibilities of using newly developed genomics-based interventions in cool season adapted grain legumes.
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http://dx.doi.org/10.3390/ijms23010399DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8745526PMC
December 2021

Impact of previous transurethral resection of prostate on robot-assisted radical prostatectomy: a matched cohort analysis.

J Robot Surg 2022 Jan 3. Epub 2022 Jan 3.

Department of Urology, All India Institute of Medical Sciences, New Delhi, India.

We aimed to compare surgical, oncological, and functional outcomes of robot-assisted radical prostatectomy (RARP) in prostate cancer patients with and without prior history of transurethral resection of the prostate (TURP), using a matched cohort analysis. In an IRB-approved protocol, all patients who underwent RARP at our institution between April 2005 and July 2018 with at least 1-year follow-up were included. Among these, patients who had undergone a previous TURP (Group A) were compared with those without TURP (Group B) using the Survival, Continence, and Potency outcomes reporting system. Using propensity score matching for age, PSA and Gleason score, the two cohorts were further subdivided in a 1:2 ratio into Group C (prior TURP from Group A) and Group D (without prior TURP from Group B). Similar comparisons were made between Group C and D. Patients in Group A (n = 40) had lower PSA (p = 0.031) and were more likely to have Gleason grade 1 disease (p = 0.035) than patients in Group B (n = 143). In the propensity-matched group analysis, patients of Group C (n = 38) had higher operative time and blood loss than Group D (n = 76) patients. Group C patients also had lower continence at 3, 6, and 12 months after surgery. However, oncological and potency outcomes were similar in both the groups. We concluded that previous TURP is a predictor for surgical and continence outcomes following RARP. Even though these patients have a potentially lower stage or grade of disease, they are less likely to achieve social continence than men who have not had a previous TURP. This information would be important in counseling them for treatment options.
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http://dx.doi.org/10.1007/s11701-021-01348-8DOI Listing
January 2022

Integrating Principles of Safety Culture and Just Culture Into Nursing Homes: Lessons From the Pandemic.

J Am Med Dir Assoc 2022 02 25;23(2):241-246. Epub 2021 Dec 25.

Geriatric Research Education and Clinical Center (GRECC), Veterans Affairs Northeast Ohio Healthcare System, Cleveland, OH, USA; Division of Infectious Diseases and HIV Medicine, Department of Medicine and the Department of Population and Quantitative Health Sciences, Case Western Reserve University School of Medicine, Cleveland, OH, USA. Electronic address:

Decades of concerns about the quality of care provided by nursing homes have led state and federal agencies to create layers of regulations and penalties. As such, regulatory efforts to improve nursing home care have largely focused on the identification of deficiencies and assignment of sanctions. The current regulatory strategy often places nursing home teams and government agencies at odds, hindering their ability to build a culture of safety in nursing homes that is foundational to health care quality. Imbuing safety culture into nursing homes will require nursing homes and regulatory agencies to acknowledge the high-risk nature of post-acute and long-term care settings, embrace just culture, and engage nursing home staff and stakeholders in actions that are supported by evidence-based best practices. The response to the COVID-19 pandemic prompted some of these actions, leading to changes in nursing survey and certification processes as well as deployment of strike teams to support nursing homes in crisis. These actions, coupled with investments in public health that include funds earmarked for nursing homes, could become the initial phases of an intentional renovation of the existing regulatory oversight from one that is largely punitive to one that is rooted in safety culture and proactively designed to achieve meaningful and sustained improvements in the quality of care and life for nursing home residents.
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http://dx.doi.org/10.1016/j.jamda.2021.12.017DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8709783PMC
February 2022

Exploring supercapacitance of solvothermally synthesized N-rGO sheet: role of N-doping and the insight mechanism.

Phys Chem Chem Phys 2022 Jan 4;24(2):1059-1071. Epub 2022 Jan 4.

Materials Research Centre, Indian Institute of Science, Bangalore 560012, India.

We demonstrate the method of achieving excellent supercapacitance in nitrogen-doped reduced graphene oxide (N-rGO) sheets by controlling the amount of N-content through the use of different ratios of GO and urea during solvothermal synthesis. Here, urea plays a dual role in reducing GO and simultaneously doping nitrogen into the GO flakes forming exfoliated N-rGO sheets. The nitrogen content in N-rGO samples rises with an increase in the amounts of urea and saturates at a value of ∼14% for the GO : urea ratios beyond 1 : 8. The obtained N-rGO sheets with ∼ 5% N-content (obtained for GO : urea ratio of 1 : 3) were demonstrated as excellent supercapacitor materials. Using a 3-electrode setup, the maximum specific capacitance obtained for this sample was 514 F g at a current density of 0.5 A g (mass normalized current). The insights into the origin of this excellent supercapacitive behavior are explained through our results on optimum N-content, the relative amount of different N-environments, defects/disorders, and the degree of reduction of GO. Importantly, a proper stacking of rGO sheets with moderate N-content (∼5-6%) and a moderate amount of defects is the key to achieve high specific-capacitance. Furthermore, our 2-electrode device demonstrates the excellence of our samples with a of 237 F g, a power density of 225 W kg, and an energy density of 6.7 W h kg at 0.5 A g, exhibiting a high cyclic constancy with high capacitive retention of ∼ 82% even after 8000 cycles. Hence, our work provides a way to control the properties of N-rGO in achieving excellent supercapacitive performance.
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http://dx.doi.org/10.1039/d1cp03694gDOI Listing
January 2022

TransOral UltraSonic surgery (TOUSS) for oral cavity, oropharyngeal and supraglottic malignancy: A prospective study of feasibility, safety, margins, functional and survival outcomes.

Oral Oncol 2022 01 11;124:105643. Epub 2021 Dec 11.

Department of Radiotherapy, All India Institute of Medical Sciences, New Delhi, India. Electronic address:

Introduction/background: With the advent of TransOral Robotic Surgery (TORS) the ease of transoral procedures has been dramatically improved. TORS is already established for its feasibility, functional and oncological outcomes for selected lesions of oral cavity, oropharynx and laryngopharynx. This study reports on preliminary results with TransOral UltraSonic Surgery (TOUSS) for oncologic resections of oral cavity, oropharyngeal and supraglottic malignancies.

Materials And Methods: Eighteen patients with malignancies of oral cavity, oropharynx and supraglottis underwent TOUSS with simultaneous neck dissection and adjuvant therapy as indicated, from January 2018 to April 2019. Essential equipment included the FK-retractor (Gyrus Medical, Tuttilngen, Germany) for TransOral exposure, the Olympus ENDOEYE Flex 5 mm 2D/10 mm 3D deflecting tip video laparoscopes, and 35 cm long ultrasonic harmonic scalpel (Thunderbeat). Parameters evaluated include tumor staging, mouth opening, TOUSS setup time, TOUSS primary removal time, surgical margins, blood transfusions, tracheostomy, postoperative complications, enteral feeding and resumption of oral diet, duration of hospital stay, and survival outcomes.

Results: Eighteen patients underwent complete TransOral UltraSonic Surgery (TOUSS), with simultaneous unilateral or bilateral neck dissection. No procedure was abandoned intraoperatively due to difficulty in extirpation of the tumor. Margins were negative for ten patients (55.6%), close in five (27.8%), and positive in three patients (16.7%). Average TOUSS set-up time was 22.5 min (range, 10-30 min) and average TOUSS primary tumor removal time was 35.3 min (range, 15-60 min). Patients started tolerating oral feeds even in the second post op day (mean 6 days), and transitioning to complete oral feeds with removal of the nasogastric tube was achieved in all (mean, 16 days). The average hospital stay was 7.4 days (range 2-16 days). Secondary hemorrhage occurred in two cases and required an emergency tracheostomy and ligation of lingual artery. Minor cervicopharyngeal fistula occurred in four cases and settled in all with conservative non-surgical treatment. Overall survival at 3 years was 70.5%, and disease-specific survival was 94.4%.

Conclusion: TransOral UltraSonic Surgery (TOUSS) is a safe and sound alternative method of endoscopic surgical treatment of oral cavity, oropharynx and supraglottic neoplasms. Advantages of this technique include faster resection time, intraoperative assistance from Narrow Band Imaging, easy affordability compared to TORS, and excellent functional outcomes.
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http://dx.doi.org/10.1016/j.oraloncology.2021.105643DOI Listing
January 2022

Mania and hypomania associated with COVID-19: a series of 15 cases seen by the consultation-liaison psychiatry service in Qatar.

Qatar Med J 2021 30;2021(3):65. Epub 2021 Nov 30.

Psychiatry Hospital, Hamad Medical Corporation, Doha, Qatar E-mail:

Background: A range of neuropsychiatric diagnoses have been reported in association with coronavirus disease 2019 (COVID-19). However, only sporadic cases of mania or hypomania have been reported in patients with COVID-19. This study aimed to report clinical characteristics of 15 consecutive cases of COVID-19-associated mania or hypomania seen in three general hospitals in Qatar in the early months of the pandemic in 2020.

Methods: This study is a retrospective case-note review of 15 cases of COVID-19-associated mania or hypomania (confirmed by polymerase chain reaction test), seen as inpatient consultations out of the first 100 consecutive patients managed by consultation-liaison psychiatric teams in Qatar between 2 March 2020 and 7 July 2020.

Results: The mean age of the 15 patients was 40 years. Twelve patients had mania, and three had hypomania. Regarding the physical severity of COVID-19, 10 patients were asymptomatic, two had upper respiratory tract symptoms alone and three had pneumonia. None of the patients were intubated. Potential risk factors for mania/hypomania included pandemic-related psychosocial stress before admission (n = 9), past history of mania/bipolar disorder (n = 6) or psychosis (n = 2), raised inflammatory markers (n = 7) and steroid use (n = 3). None had a history of recent substance misuse. Other than one patient with advanced cancer, none had comorbidity regarded as likely to have caused mania or hypomania. Three patients had mild white matter ischaemic changes on brain imaging. Standard pharmacological treatment for mania (i.e. antipsychotic medication supplemented by prn benzodiazepines) was effective. Ten patients were discharged home from the COVID-19 facility where they presented, but five required transfer to Qatar's psychiatric hospital for further treatment of mania.

Conclusion: The association of mania or hypomania with COVID-19 may be spurious (e.g. representing an initial presentation of bipolar disorder) or causal. The reported cases illustrate a range of potential aetiological mechanisms by which COVID-19 could cause mania or hypomania. Cohort studies are necessary to determine the incidence, aetiology and prognosis of COVID-19-associated mania/hypomania.
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http://dx.doi.org/10.5339/qmj.2021.65DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8631349PMC
November 2021

Dynamics of a single polyampholyte chain.

J Chem Phys 2021 Dec;155(21):214903

Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.

Polymers that feature both positive and negative charges along chains, known as polyampholytes, represent a class of materials that hold promise for a new generation of energy storage devices, the design of which will require knowledge of the underlying structure and dynamics. Here, we develop a theory based on the Rouse model for the dynamic structure factor of a single polyampholyte chain in the weak coupling regime (negligible intramolecular electrostatics) or subjected to weak external electric fields (governed by linear response). Neglecting effects of small ions, we find deviations in scaling from the classic Rouse theory and make predictions for scattering experiments performed on polyampholytes. We find that, under weak coupling with arbitrarily strong fields, the dynamics are highly dependent on the charge distribution and consequently look at two representative examples-random charge densities and periodic charge densities-with different scaling properties. Under weak fields, the dynamics are largely independent of charge distribution. Finally, we investigate the influence of hydrodynamic effects and the implications of including inertial effects in the model.
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http://dx.doi.org/10.1063/5.0066082DOI Listing
December 2021
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