Background: Prior vaccination is often studied for its impact on individuals' post-infection prognosis. Ayurveda, Yoga, Unani, Siddha and Homeopathy (AYUSH) medicines, advised by the Government of India as prophylaxis during the first wave of the coronavirus disease 2019 (COVID-19) pandemic, were consumed by the masses in 2020. A study was therefore undertaken to observe any association between the prior usage of AYUSH prophylactic medicines and post-infection severity as reported by recovered COVID-19 individuals.
View Article and Find Full Text PDFEveryone on board! It's all about science and the great people behind it at ChemPhysChem. In this Editorial, we look back at 2022, which has brought many changes and achievements to the journal, and delve into what is in store for 2023. We also introduce ChemPhysChem's first Early Career Advisory Board and welcome new faces to the Editorial Advisory Board.
View Article and Find Full Text PDFObjective: During the early part of the COVID-19 pandemic, non-pharmacologic interventions were the strategies for the prevention of severe acute respiratory syndrome coronavirus 2. The Ministry of Ayush, Govt. of India, had advised Arsenicum album 30C as a prophylactic to prevent COVID-19.
View Article and Find Full Text PDFPhysical chemistry is everywhere! Over the past two decades, ChemPhysChem has accompanied many of the major developments in physical chemistry and chemical physics, filing its pages with exciting new science. In this Editorial, we look at some of the highlights during this time, focusing on our activities and achievements in 2021, and peek at what we have in stock for the next year.
View Article and Find Full Text PDFJ Chem Theory Comput
December 2019
We report a polarizable subsystem density functional theory to describe electronic properties of molecules embedded on a metal cluster. Interaction between the molecule and metal cluster is described using frozen density embedding (FDE). Substituting the nonadditive kinetic potential (NAKP) by approximate functionals is circumvented by enforcing external orthogonality (EO) through a projection operator.
View Article and Find Full Text PDFThe Landauer expression for computing current-voltage characteristics in nanoscale devices is efficient but not suited to transient phenomena and a time-dependent current because it is applicable only when the charge carriers transition into a steady flux after an external perturbation. In this article, we construct a very general expression for time-dependent current in an electrode-molecule-electrode arrangement. Utilizing a model Hamiltonian (consisting of the subsystem energy levels and their electronic coupling terms), we propagate the Schrödinger wave function equation to numerically compute the time-dependent population in the individual subsystems.
View Article and Find Full Text PDFElectron-stimulated desorption of hydrogen from the graphene/SiC(0001) surface at room temperature was investigated with ultrahigh vacuum scanning tunneling microscopy and ab initio calculations in order to elucidate the desorption mechanisms and pathways. Two different desorption processes were observed. In the high electron energy regime (4-8 eV), the desorption yield is independent of both voltage and current, which is attributed to the direct electronic excitation of the C-H bond.
View Article and Find Full Text PDFWe combine experiment, theory, and first-principles-based calculations to study the light-induced plasmon-mediated electron transport characteristics of a molecular-scale junction. The experimental data show a nonlinear increase in electronic current perturbation when the focus of a chopped laser beam moves laterally toward the tip-sample junction. To understand this behavior and generalize it, we apply a combined theory of the electronic nonequilibrium formed upon decoherence of an optically triggered plasmon and first-principles transport calculations.
View Article and Find Full Text PDFContext: The birth of transfusion-dependent states of hemoglobinopathies including thalassemias is preventable by population screening and genetic counseling. Magnitude is not addressed in the Northern Region of West Bengal where many ethnic variants inhabit.
Aims And Objectives: The aim of the following study is to find out the burden of different entities of hemoglobinopathies, their correlation with ethnicity and the "at risk" groups.
Background: The average rural Indian women enter her reproductive life, particularly in pregnancy, suffer from nutritional anemia due to iron deficiency. National program of India had implemented a strategy for supplementation of iron folic acid by means of iron folic acid (IFA) tablets at least 3 months during antenatal period. The study had been conducted to assess the proportion of pregnant mothers consumes the IFA tablets and the factors determine compliance.
View Article and Find Full Text PDFTo determine the prevalence of dry eye diseases in general clinical ophthalmic practice in a hospital-based population in West Bengal, Eastern India, a cross-sectional study was undertaken among 3023 subjects with the age of > or = 30 years, attending general ophthalmic clinic in a tertiary eye hospital. Demographics, detailed history and 6-items McMonnies' dry eye questionnaire were asked. Tear film break-up time (TBUT), Schirmer-I test, Rose Bengal (RB) staining, slit lamp examination and Meibomian gland dysfunction (MGD) were studied.
View Article and Find Full Text PDFThe difficulty in achieving experimental control over a metal-molecule-metal junction formation hinders the understanding of the relationship between the contact geometry and electron transmittance. Computational studies on the other hand have the potential to resolve structural effects on the transport in molecular junctions. In a recent computational effort substantial transport was indicated even in the case where all the junction atoms were removed, while their corresponding atomic basis functions were included in the basis set (i.
View Article and Find Full Text PDFAim: Retained placenta is an important cause of maternal mortality. The present study was aimed to determine the efficacy of umbilical injection of oxytocin as a treatment modality in this condition.
Material And Methods: This was a single-center randomized controlled trial incorporating 58 women with retained placenta of more than 30 min, equally distributed into two study arms of intra-umbilical injection of oxytocin (50 IU oxytocin diluted with normal saline [NS] to a total volume 30 mL) and intra-umbilical injection of NS (30 mL).
Background: In India, 67,500 infants acquire HIV infection yearly due to mother to child transmission.
Objective: The objective was to assess the operational aspect of the Prevention of Parent to Child Transmission (PPTCT) program in a tertiary care hospital and explore its bottleneck.
Materials And Methods: A 5-year (2004-2008) prospective evaluation study was conducted among the pregnant women attending Obstetrics Department of a rural tertiary care hospital, since the year of implementation.
Objectives: To determine the prevalence of ischemic heart disease and the associated risk factors among the urban population of Siliguri.
Materials And Methods: A cross-sectional survey of a random sample of the population aged >/=40 years old in the Municipal Corporation area of Siliguri. Study variables were age, sex, occupation, addiction, food habit, physical activity, body mass index, blood pressure, and electrocardiogram change.