Browsing by Author "Anup Kumar"

Now showing 1 - 15 of 15

Ab-initio and density functional study of l- and d-forms of alanine and serine in gas phase and bulk aqueous medium
(Elsevier, 2007) D.M. Upadhyay; Amareshwar Kumar Rai; D.K. Rai; A.N. Singh; Anup Kumar
The molecular geometry of l and d-forms of alanine and serine in gas phase have been studied by using ab-initio quantum chemical calculations at the restricted Hartree-Fock (RHF) level by employing 6-31G and 6-311++G** basis sets. Subsequently, for considering the electron correlations, Density functional Calculations at the Becke3LYP (B3LYP) and Moller-Plesset second order (MP2) level of calculations have been carried out with the same basis sets for these optimized geometries. Effect of solvation in water on the optimized geometries was studied using the polarized continuum model of the self-consistent reaction field (SCRF) theory. The dipole moment, energy, polarizabilities and vibrational frequencies have been calculated in all cases. Frequency analysis was carried out to ensure that optimized geometry corresponds to a total energy minimum. © 2006 Elsevier B.V. All rights reserved.
An Empirical Analysis of Impact of Organizational Strategies on Critical Success Factors of Business Process Reengineering
(Springer, 2021) Niraj Kumar Vishvakarma; R.R.K. Sharma; Anup Kumar
This study empirically investigates the influence of organizational strategies on critical success factors of business process reengineering (BPR) related to the scope, efficiency, effectiveness, direction of information flow, and resistance to change during the BPR implementation project. The study adopts the organizational typology propose by Miller and Roth (Manag Sci 40(3):285–304, 1994, https://doi.org/10.1108/01443570810867204) to categorize the organizations into three strategic groups (caretakers, marketeers, and innovators). For this study, the data have been collected from 131 organizations involved in BPR-related activities. This study uses various statistical techniques like cluster analysis, principal component, and post hoc analysis, to analyze the collected data. The data analysis shows an impact of organizational strategies on BPR factors like scope, efficiency, and bottom-up communication. Moreover, there are also some factors where organizational strategies do not play a significant role, but these factors are crucial for all the organizational strategy types. © 2021, Global Institute of Flexible Systems Management.
Appropriation of sustainability priorities to gain strategic advantage in a supply chain
(Emerald Group Holdings Ltd., 2022) Anup Kumar; Santosh Shrivastav; Amit Adlakha; Niraj K. Vishwakarma
Purpose: The authors develop a methodology to select appropriate sustainable supply chain indicators (SSCIs) to measure Sustainable Development Goals (SDGs) in the global supply chain. Design/methodology/approach: SSCIs are identified by reviewing the extant literature and topic modeling. Further, they are evaluated based on existing SDGs and ranked using the fuzzy technique for order preference by similarity to ideal solution (TOPSIS) method. Notably, the evaluation of indicators is a multi-criteria decision-making (MCDM) process within a fuzzy environment. The methodology has been explained using a case study from the automobile industry. Findings: The case study identifies appropriate SSCIs and differentiates them among peer suppliers for gaining a competitive advantage. The results reveal that top-ranked sustainability indicators include the management of natural resources, energy, greenhouse gas (GHG) emissions and social investment. Practical implications: The study outcome will enable suppliers, specialists and decision makers to understand the criteria that improve supply chain sustainability in the automobile industry. The analysis provides a comprehensive understanding of the competitive package of indicators for gaining strategic advantage. This proactive sustainability indicator selection promotes and enhances sustainability reporting while fulfilling regulatory requirements and increasing collaboration potential with trustworthy downstream partners. This study sets the stage for further research in SSCIs’ competitive strategy in the automobile industry along with its supply chains. Originality/value: This study is unique as it provides a framework for determining relevant SSCIs, which can be distinguished from peer suppliers, while also matching economic, environmental and social metrics to achieve a competitive advantage. © 2020, Emerald Publishing Limited.
Azobenzamide-based proteomorphous objects as a light/pH-induced photoswitchable module
(Royal Society of Chemistry, 2014) Promod Kumar Yadav; Alok Kumar Singh; Anup Kumar; Niraj Kumari; Antonino Gulino; Lallan Mishra; Tarkeshwar Gupta
Azobenzamide-based molecular scaffolds viz. (E)-4,4′(diazene-1,2- diyl)bis(N-pyridin-3-yl)benzamide (1) and (E)-4,4′(diazene-1,2-diyl)bis(N- pyridin-4-yl)benzamide (2), yield proteomorphous architectures i.e., secondary "β-pleated sheet" and tertiary "β-hairpin" respectively, that offer "optical data storage" competence as a result of reversible light-induced conformational changes in organic solvent. © The Royal Society of Chemistry 2014.
Dielectric and electrical properties measurement of BCTO and Co & V-doped BCTO synthesized via semi-wet route method
(Springer, 2023) Anup Kumar; Vinod Kumar; Manish Kumar Verma; Vishnu Shankar Rai; Dinesh Prajapati; Biswajit Jena; Dipendra Kumar Verma; Poonam Kumari; D. Tiwary; K.D. Mandal
Bi2/3Cu3Ti4O12 (BCTO) and Bi2/3Cu3Ti3.95Co0.025V0.025O12 (BCTCVO) Ceramic was synthesized by using a cost-effective novel semi-wet route method. The phase formation was confirmed by XRD analysis with traces of TiO2 and CuO phases of BCTO and BCTCVO ceramic. The average crystallite sizes of BCTO and BCTCVO ceramic were found to be 40.49 and 39.72 nm, respectively. XPS studies confirm the oxidation state of each elements in appropriate oxidation state. Elemental analysis was performed by EDS. It was observed that the maximum dielectric constant values of BCTO and BCTCVO ceramic were 3372 and 1663 at 523 K and at 1 kHz. The value of dielectric constant was observed very low at higher frequency. Tangent loss values of BCTO and BCTCVO ceramic were found 3.67 and 2.39 at 523 K and 1 kHz, respectively. © 2023, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.
Digital Humanitarianism in a Pandemic Outbreak: An Empirical Study of Antecedents and Consequences
(Springer Science and Business Media Deutschland GmbH, 2020) Anup Kumar; Niraj K. Vishwakarma; Parijat Upadhyay
Based on the resource-based view and the thematic analysis of digital humanitarianism, information and Communication Technology (ICT) success, and the potential value of Crowd Sourcing (CS), this study proposes a Digital Humanitarianism Capability (DHC) model. The study extends the above research streams by examining the direct effects of DHC on Disaster Risk Reduction (DRR), as well as the mediating effects of process-oriented dynamic capabilities (PODC) on the relationship between DHC and DRR. To test our proposed research model, we used an online survey to collect data from 150 District Magistrates (DMs) of India who is handling the COVID-19 Pandemic Management. The findings confirm the value of the entanglement conceptualization of the hierarchical DHC model, which has both direct and indirect impacts on DRR. The results also confirm the strong mediating role of PODC in improving insights and enhancing DRR. Finally, implications for practice and research are discussed. © 2020, IFIP International Federation for Information Processing.
Effect of Niobium Doping on Dielectric, Electrical and Magnetic Properties of Bismuth Copper Titanium Oxide
(Pleiades Publishing, 2025) Biswajit Jena; Anup Kumar; Dinesh Prajapati; Rajni Baranwal; Shail Upadhyay; Narsingh Bahadur R. Singh; Dhanesh Tiwary; Kamdeo Mandal
Abstract: Bi2/3Cu3Ti4 –xNbxO12 (BCTNO) ceramics with compositions x = 0.05, 0.10, and 0.20 were fabricated through a semi-wet route and sintered at 1173 K for 8 h. A detailed study was conducted to investigate the impact of Nb substitution on the structural, dielectric, electrical, and magnetic characteristics of BCTO. The synthesized Bi2/3Cu3Ti4 –xNbxO12 (x = 0.05, 0.10, and 0.20) ceramics were designated as BCTNO-0.05, BCTNO-0.10, and BCTNO-0.20, respectively. X-ray diffraction (XRD) investigation highlights the presence of all characteristic peaks of the pure BCTO compound, confirming the development of a single phase with a well-defined crystal structure upon Nb doping up to a composition of 0.20. Furthermore, the lattice parameter of the synthesized compounds is found to decrease with increasing Nb concentration. Field emission scanning electron microscopy (FE-SEM) was employed to assess the microstructural alterations in the synthesized BCTNO ceramics. High resolution transmission electron microscopy (HR-TEM) images revealed that the BCTNO ceramics’ particle sizes varied from 189 to 191 nm. The valence states of various ions present in the Nb-doped BCTO ceramics were analysed utilizing X-ray photoelectron spectroscopy (XPS). The dielectric permittivity (εʹ) and tangent loss (tan δ) of BCTNO ceramics were found to decrease with rising frequency. Impedance analysis provided confirmation of thermally activated ionic conduction within the ceramics. The magnetization (M) vs. Magnetic field (H) studies revealed antiferromagnetic behaviour at low temperature, with indications of weak ferromagnetism. © Pleiades Publishing, Ltd. 2025.
Electronic structure and vibrational spectra of common pain killer (Aspirin and Ibuprofen) in gas phase and different medium: An ab initio and DFT approach
(2012) Anup Kumar; Amareshwar Kumar Rai; D.M. Upadhyay; D.K. Rai; A.N. Singh
The molecular geometries of common pain killer drugs Aspirin and Ibuprofen have been investigated using ab initio quantum chemical calculations at the Restricted Hartree-Fock (RHF) and the Density functional method at the Becke3LYP (B3LYP) level by employing 6-31+G*basis set in gas phase, water, methanol and ethanol. The structure, dipóle moments, vibrational frequencies with IR intensities and other thermodynamic properties have also been studied. It is found that both Aspirin and Ibuprofen molecules are relatively more stable in water. A tentative assignment of the intense infrared calculated frequencies (IR) for both Aspirin and Ibuprofen corresponding to the different modes has been carried out. The observed IR spectra of these molecules were also recorded in the range 4000-400 cm.
How successful have the lockdowns been in controlling the (COVID-19/SARS-CoV-2) pandemic - A simulation-based analysis
(World Scientific, 2021) Anup Kumar; Niraj Kr. Viswakarma; Amit Adlakha; Kampan Mukherjee
The total number of infections (epidemic size), and the time needed for the infection to die out (epidemic duration), represent two of the main indicators for the measuring gravity of infectious disease epidemics in humans. A few attempts have been made to address the problem of controlling both the epidemic size and duration simultaneously from a theoretical point of view, by primarily using the Optimal control theory. In this study, a multi-objective optimal control problem has been simulated to gauge the success of the lockdowns in India. To accomplish this objective, a system dynamics modeling was used to simulate the Susceptible-Infected-Quarantined-Removed epidemic model. A set of sensitivity experiments for different scenarios allows illustrating the model's behavior and its value for decision-makers regarding the lockdown intensity. The simulation of the model presents various scenarios, wherein the cost-benefit analysis of lockdown was done. Notably, the lockdown success intensity was defined, post which, the findings indicate that the states of Uttar Pradesh, Kerala, Panjab, Jammu, Kashmir, Haryana, and Bihar have achieved more than 90% lockdown success intensity. Further, it was observed that these states could effectively implement lockdowns by strictly enforcing social distancing measures during the early stages of the virus spread, which in turn resulted in the high success rate of lockdowns. © 2021 World Scientific Publishing Company.
Impact of Heterogeneity on Closed and Open Birth Intervals
(Springer, 2019) Anup Kumar; R.C. Yadava
Vast literature is available where modelling for duration between ith and (i + 1)th births has been done. Apart from other considerations these models assume that consecutive birth intervals are independently distributed. This assumption may be quite reasonable if the population of females is homogeneous with respect to fertility parameters involved in the model. However, if population is heterogeneous with respect to these parameters, then the consecutive intervals are likely to be dependent. The behaviour of closed and open birth intervals under the condition of heterogeneity in the population with respect to certain fertility parameters is investigated. © 2018, Indian Statistical Institute.
One-pot instant flame synthesis of strontium-doped lanthanum nickelate perovskite for energy conversion and storage
(John Wiley and Sons Inc, 2025) Laxman Singh; Vineet Kumar Patel; Ayan Mukherjee; Varsha K. Singh; Anup Kumar; Abhishek Rai; Vellaichamy Ganesan; Anshuman K. Srivastava; Parwathi Pillai; Rajeev Kumar; Ramanand Rai; Youngil Lee
Perovskite structures have great potential to act as multifunctional electrocatalysts with excellent surface chemistry, reactivity, and electrode kinetics for energy storage and conversion. It is a big challenge to fabricate the bulk perovskite material using low-cost and eco-friendly synthetic route along with desirable characteristics, that is, exposed active sites. To address this issue, we synthesized an important model perovskite material, viz. La1.85Sr0.15NiO4 (LSNO), using an instantaneous flame synthesis technique. The current synthesis procedure is a rapid and economical technique regarding raw material cost, synthesis duration, and energy consumption, thereby eliminating the usual multi-step processing compared to other reported techniques so far. The synthesized LSNO has been characterized using various physico-chemical techniques such as thermogravimetric analyses (DTA/TG), X-ray diffraction (XRD), Fourier transform infrared (FT-IR), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), electron microscopy (SEM/TEM), etc. XRD analysis confirmed the formation of a single phase of LSNO after sintering at 900°C for 12 h. In FT-IR spectra, the absorption bands were noticed at 520, 664, and 880 cm−1 corresponding to the La–O, Ni–O, and Sr–O vibrations. The energy dispersive X-ray spectroscopy (EDX) and XPS studies showed the presence of La, Sr, Ni, and O elements which confirm the purity and stoichiometry of LSNO. Here, we report the quick and hassle-free synthesis. LSNO showed excellent oxygen reduction reaction (ORR) activity with an onset potential of 0.88 V versus Reversible Hydrogen Electrode (RHE), which is lower than several existing perovskite-based electrocatalysts. This sample could also be used as supercapacitor material. The galvanostatic charge/discharge test showed stability even at high current densities with a capacity retention of 97.25% even after 500 cycles. The superior ORR activity and electrochemical performance of LSNO provides an impetus for exploring this economical approach toward perovskite-based material synthesis for energy conversion and storage applications. © 2025 The American Ceramic Society.
Sex ratio at birth: A model based approach
(2013) R.C. Yadava; Anup Kumar; U. Srivastava
There are many biological and social determinants of the sex ratio (the ratio of the number of males to the total number of children) at birth (SRB). Among these, sex selective abortion is considered the most effective. This paper attempts to examine the impact of the practice of sex selective abortion on the SRB under different hypothetical situations. This paper also investigates the effect of the desire of a sex combination of children on the SRB under different stopping rules for heterogeneity in the population regarding the probability of producing a male child (p). The results presented here are intended to further clarify the impact of some possible stopping rules on the SRB. © 2012 Elsevier B.V.
Studies of multifunctional Bi12GeO20 compound synthesized by chemical route
(SPIE, 2024) Anup Kumar; Manish Kumar Verma; Biswajeet Jena; Dhanesh Tiwary N.B. Singh; K.D. Mandal
Increasing water pollution poses a serious threat to both humankind and animals in the current situation. Low cost optical especially photocatalytic material is of utmost relevance to improve situation and meet the global energy demand with little environmental damage. The aim of this study is to develop low-cost low temperature reproducible method to synthesize multifunctional material suitable for degradation of a very dangerous water contaminant dye under visible light exposure. A semiwet chemical route was used to synthesize a multifunctional Bi12GeO20 compound suitable for photocatalytic activity for the degradation of Rhodamine B (RhB) dye under visible light exposure. Bi12GeO20 (BGO) ceramic with polycrystalline structure was prepared successfully e using a low temperature chemical process. X-ray powder diffraction reveals that single-phase BGO ceramic was formed. Nanosized BGO ceramic particles that had been stabilized, XRD and TEM to showed particle sizes in the 60-10 nm range. Due to the favorable band gap (2.72 eV) and the sillenite type Bi12GeO20 exhibits strong photocatalytic activity for the degradation of Rhodamine B (RhB) dye under visible light exposure. © 2024 SPIE.
The emergence of Griffiths phase in CaCu3Ti(4−x)Mn xO12 (CCTMO, x = 1, 2 and 3) geometrically frustrated antiferromagnetic complexes perovskite
(Springer, 2024) Vinod Kumar; Anup Kumar; Shruti Singh; Krishna Kumar; Manish Kumar Verma; Vishnu Shankar Rai; Gurudeo Nirala; Shail Upadhyay; Navneet Yadav; N.B. Singh; Dhanesh Tiwary; K.D. Mandal
In this work, we have reported the rare coexistence of a Griffiths phase (GP) in a complex perovskite oxide with geometrically frustrated antiferromagnetism. We have achieved this by substituting Manganese (Mn) in the titanium site of CaCu3Ti(4−x)MnxO12 (CCTMO, x = 1, 2 and 3). The occurrence of a Griffiths phase is observed when a strong contest between antiferromagnetic transition (TN) and paramagnetic (PM) occurs in the magnetic domain. As we increased the molar concentration of Manganese while substituting at titanium site in CaCu3Ti4O12, we observed the appearance of a step-like Griffiths phase. Manganese (Mn)-substituted materials exhibit paramagnetic (PM) to ferromagnetic (FM) phase transitions below CaCu3Ti3Mn1O12 (CCTM1O), CaCu3Ti2Mn2O12 (CCTM2O), and CaCu3Ti1Mn3O12 (CCTM3O), marked by a rapid step-like change in the magnetic moment due to spin ordering. The deviation of inverse magnetic susceptibility (χ−1) from Curie–Weiss behavior occurs in the temperature ranges of 75 to 190 K, 80 to 200 K, and 150 to 280 K, respectively. The emergence of the Griffiths phase before the actual PM–FM transition indicates that the inhomogeneous phase above the Curie temperature (T C), which can be defined as a Griffiths phase, is dominated by ferromagnetic interactions rather than antiferromagnetic ones. The presence of a Griffiths-like phase beyond its Curie temperature (T C) is indicated by low-field DC magnetization of the nanostructures, showing abnormal magnetic behavior. The presence of short-range magnetic correlations and ferromagnetic clusters in the system due to the size decrease is linked to this unexpected behaviour. © 2024, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.
TREND OF SYNTHETIC PARITY PROGRESSION RATIO (SPPR) OF INDIA: EVIDENCE FROM NATIONAL FAMILY HEALTH SURVEYS
(River Publishers, 2019) Abhishek Bharti; Anup Kumar; B.P. Singh
Fertility dynamics have been studied in this paper from 1977 to 2015. Regional fertility changes are analyzed using all four rounds of National Family Health Survey (NFHS) data. Synthetic Parity Progression Ratios (SPPR) and Total fertility rate (based on PPR) are used to analyze the fertility trend. Except for first parity, there is a decline in second and higher order birth of all the six regions. Reduction of third and higher order birth is the main reason for this decline. © 2020 River Publishers.