Article
Chemistry, Analytical
Zhizhou Liu, Tong Wang, Liang He, Xueyan Nan, Xuming Sun, Pengli Bai
Summary: A dual emission turn-on probe for detecting DPA, a major biomarker of Bacillus anthracis, was reported in this study, with low detection limits and a one-to-two decoder logic gate operation for convenient monitoring.
MICROCHEMICAL JOURNAL
(2022)
Article
Chemistry, Analytical
Pawan Kumar Sada, Amit Bar, Amanpreet Kaur Jassal, Alok Kumar Singh, Laxman Singh, Abhishek Rai
Summary: A new rhodamine-6G hydrazone (RHMA) was synthesized using rhodamine-6G hydrazide and 5-Allyl-3methoxysalicylaldehyde. RHMA was fully characterized and showed selective recognition of Cu2+ and Hg2+ among other metals. The absorbance and fluorescence of RHMA changed significantly with the presence of Cu2+ and Hg2+, resulting in a visual color change. RHMA also showed reversibility in the presence of EDTA2- ions and can be applied as a test strip for detection.
ANALYTICA CHIMICA ACTA
(2023)
Article
Chemistry, Analytical
Huawei Niu, Xintong Mi, Xinting Hua, Yuanyuan Zhang, Yaping Zhai, Fangyuan Qin, Yong Ye, Yufen Zhao
Summary: The reaction of NO and H2S to form HNO is a classical pathway in physiological conditions. It is necessary to develop a bifunctional fluorescence probe (NJA) for monitoring simultaneously the production of endogenous HNO and H2S. The obtained NJA can detect specifically HS- and HNO, and a molecular AND logic gate was established to detect successfully H2S and HNO.
ANALYTICA CHIMICA ACTA
(2022)
Article
Chemistry, Physical
Shashanka Shekhar Samanta, Prabhat Kumar Giri, Subhadip Giri, Avijit Ghosh, Ajay Misra
Summary: A phenolphthalein based fluorescent probe, PHPA, with high sensitivity and selectivity towards Zn2+ and Al3+ was synthesized. The binding sites of both sensor complexes (PHPA-Zn2+ & PHPA-Al3+) were confirmed through spectroscopic methods. The probe PHPA was also used to detect intracellular Zn2+ ion in A549 cells. The AIEE properties of PHPA were studied in methanol-water mixtures with high water contents.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Spectroscopy
Qanita Ilyas, Muhammad Tahir Waseem, Hafiz Muhammad Junaid, Zulfiqar Ali Khan, Farhan Munir, Ahson Jabbar Shaikh, Sohail Anjum Shahzad
Summary: This study focuses on the rapid and cost-effective detection of 2,4,6-trinitrophenol (TNP) explosive using two new fluorescein-based sensors (F2 and F3). The sensors displayed effective fluorescence quenching response towards TNP, enabling highly sensitive detection. The detection mechanism was investigated through various techniques, and the sensors showed selective and immediate colorimetric recognition of TNP with quick response time.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Applied
Lijun Tang, Lei Zhou, Aijia Liu, Xiaomei Yan, Keli Zhong, Xiuying Liu, Xue Gao, Jianrong Li
Summary: A new dual-function probe, HBTM-HC, based on cascade reactions, has been developed for the selective detection of cyanide and hydrazine with high sensitivity and accuracy. The probe has been successfully applied in fluorescence imaging of hydrazine in live cells and detection of cyanide and hydrazine in real water samples with high recovery rates and small relative standard deviations.
Article
Chemistry, Physical
Virendra Kumar, Uzra Diwan, Nidhi Tyagi, Rakesh K. Mishra, Manish Kumar Singh, K. K. Upadhyay
Summary: A rationally designed fluorescent probe (R-1) constructed on a coumarin platform distinguished Zn2+ and Cu2+ ions through different mechanistic approaches at nanomolar concentrations. The probe exhibited fluorescence upon interaction with Zn2+ and reverted back to its dark state in the presence of Cu2+. The structural details of R-1 and its ensemble with Zn2+ were determined through single-crystal XRD studies, revealing intriguing coordination polymeric supramolecular structures.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2022)
Article
Spectroscopy
Qian Zhao, Jing Wang, Hai -Bo Liu, Long -Hui Duan
Summary: The organic-inorganic hybrid material RBH-SBA-15-Al3+ was synthesized and demonstrated as a selective and sensitive sensor for tetracycline antibiotics (TAs) in aqueous media. The binding of TAs to RBH-SBA-15-Al3+ led to the formation of conjugates and the activation of fluorescence signal. The detection limits for different TAs were determined, and the feasibility of detection in real samples was also demonstrated.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Biochemical Research Methods
Enhui Dai, Yumiao Sheng, Yunling Gao
Summary: A new phenanthroimidazole-based fluorescence probe for selective detection of HClO was synthesized and characterized. The probe showed a fast fluorescence response from yellow-green to blue when the HC=N double bond was oxidized and broken into an aldehyde group by HClO. It demonstrated high selectivity and sensitivity towards HClO, with approximately 4.5-fold fluorescence enhancement, and has been applied in molecular logic gate, determination of HClO in environmental water samples, and portable HClO detection.
JOURNAL OF FLUORESCENCE
(2023)
Article
Nanoscience & Nanotechnology
Amit Akhuli, Naupada Preeyanka, Debabrata Chakraborty, Moloy Sarkar
Summary: This study aims to design and develop a material-based nanoscale fluorescence sensory system for the selective and sensitive detection of highly reactive oxidative species (hROS) and antioxidants. Water-soluble, chitosan-capped fluorescent copper nanoclusters (CuNCs) are synthesized and characterized, and their sensory action for analytes is investigated using spectroscopic and microscopic techniques. The results show that CuNCs can efficiently detect hROS and antioxidants, and the optical signals can be utilized to construct logic gates.
ACS APPLIED NANO MATERIALS
(2022)
Article
Biochemistry & Molecular Biology
Jie Yang, Jie Che, Xin Jiang, Yangchun Fan, Daojiang Gao, Jian Bi, Zhanglei Ning
Summary: In this study, a Cu(II) functionalized metal-organic framework was developed as a fluorescence probe for the detection of uric acid in human urine. The probe demonstrated excellent stability, sensitivity, and anti-interference property, and could be used for intelligent detection.
Article
Biochemical Research Methods
Shashanka Shekhar Samanta, Prabhat Kumar Giri, Naren Mudi, Usha Mandal, Ajay Misra
Summary: A multi responsive fluorescent probe has been synthesized and demonstrated its 'turn-on' dual sensing properties towards Cd2+ and H2AsO4-. The probe shows intense emission at two distinct wavelengths, making it suitable for one-pot detection.
JOURNAL OF FLUORESCENCE
(2023)
Article
Chemistry, Applied
Qin-Ying Li, Ya-Qian Wang, Ming Jiang, Yuanyuan Cui, Xu Yu, Li Xu
Summary: SiNPs prepared from hydrophobic 3-glycidoxypropyltrimethoxysilane exhibit good pH stability, salt-tolerance, and antiphotobleaching properties, allowing for their application as a promising fluorescence probe for the selective quantification and semi-quantification of curcuminoids. The fluorescence colorimetric method based on SiNPs shows potential for multiple applications in determining curcuminoids in various food samples.
Article
Chemistry, Analytical
Naren Mudi, Prabhat Kr. Giri, Shashanka Shekhar Samanta, Usha Mandal, Rodrigo Ramirez Tagle, Ajay Misra
Summary: This article describes a naphthalene-based fluorescence chemosensor, PNOH, for the detection of phosphate ions. PNOH was characterized using various spectroscopic techniques and the chemosensing mechanism was demonstrated through H-1 NMR, UV-Vis absorption, and fluorescence studies. The fluorescence 'turn-on' sensing ability of PNOH towards phosphate ions was explained by the emission from the excited PNO- ion formed upon transfer of the phenolic proton of PNOH to the phosphate ion in the excited state. The 1:1 stoichiometry of the PNOH-PO43- complex was observed and the complex exhibited a distinct yellowish-green color, making it suitable for colorimetric sensing of phosphate ions. The limit of detection of PNOH for phosphate ions was found to be 0.35 μM. The study also demonstrated the use of the probe in fabricating convenient and efficient phosphate paper test kits as well as a molecular INHIBIT logic gate.
INTERNATIONAL JOURNAL OF ENVIRONMENTAL ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Gujuluva Gangatharan Vinoth Kumar, R. Bhaskar, Jonnagaddala Harathi, N. Jayaprakash
Summary: In this study, a cyanide chromogenic probe (L) was utilized for the specific detection of Hg2+ ion using colorimetric technique. The probe exhibited selective response to Hg2+ ion with clear color changes from yellow to orange, and other metal ions had no impact on the colorimetric changes. The binding mechanism between the probe and Hg2+ ion was confirmed to be the formation of a charge transfer complex, and the probe could be reversed with EDTA.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Manpreet Singh, Subhadip Neogi
Summary: Pore environment modulation in metal-organic frameworks (MOFs) can achieve selective and multicyclic carbon dioxide (CO2) adsorption, while incorporating organic sites inside MOFs can address issues in hydrogen-bond donating (HBD) catalysis. We designed a diamondoid framework CSMCRI-17 with high CO2 uptake and good selectivity over N-2 and CH4. The framework also demonstrated efficient hydrogen-bond-mediated catalysis with multicyclic usability.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Rahul Kumar Sharma, Akhil S. Nair, Nishchal Bharadwaj, Diptendu Roy, Biswarup Pathak
Summary: Understanding the dynamic reconstruction of active sites and the fluxional behavior of subnanoclusters is crucial in operando modeling techniques. Investigating the role of metastable isomers and their distinct catalyst dynamics is important for determining the fluxionality of subnanoclusters. By studying Pt13 cluster as a model catalyst for ORR, the different adsorption energetics and ORR activities of metastable isomers highlight the importance of considering their fluxional behavior. Furthermore, a detailed mechanistic ORR investigation reveals isomers possessing activity comparable to the global minima.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Diptendu Roy, Amitabha Das, Souvik Manna, Biswarup Pathak
Summary: Machine learning has had a significant impact on the field of CO2 reduction reaction (CO2RR) by predicting reactions. This article summarizes the current research progress of ML approaches in heterogeneous electrocatalytic CO2RR, including important findings related to features, output descriptors, and ML models. It also discusses the opportunities and challenges in using state-of-the-art ML methodologies and suggests the use of interpretable models for proper physical interpretations.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Nilanjan Seal, Arun Karmakar, Subrata Kundu, Subhadip Neogi
Summary: Purpose-driven pore functionality engineering in metal-organic frameworks (MOFs) offers an attractive approach for electrochemical water oxidation, and the atom-economic reaction driven by MOF composites provides an eco-friendly attribute in modern scientific era. We have integrated multiple active sites inside a thermochemically stable mixed-ligand Ni(II) framework, resulting in excellent oxygen evolution reaction (OER) performance. The material also demonstrates mild-condition autotandem catalysis in alcohol oxidation-Knoevenagel condensation with broad substrate tolerance and multicyclic performance. Furthermore, the reconfigurable smart composite MOF@MF promotes cascade reactions with comparable activity to that of the sole MOF, introducing a paradigm shift in sustainable catalysis over a real-life platform.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Ranadip Goswami, Arun Karmakar, Sonal Rajput, Manpreet Singh, Subrata Kundu, Subhadip Neogi
Summary: Artificial catalytic machinery enables purpose-driven pore functionality engineering in metal-organic frameworks for renewable energy sources and biomimetic hydrogen-bond-donating organo-catalysis. A unique linker scissoring strategy is demonstrated to develop an ultra-robust MOF with redox-active nodes, allowing for bimodal sustainable catalysis. This framework exhibits highly efficient oxygen evolution reactions and rare HBD catalysis, showcasing the key roles of task-specific sites.
MATERIALS CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Physical
Nishchal Bharadwaj, Sandeep Das, Akhil S. S. Nair, Biswarup Pathak
Summary: This study investigates the mechanism and overpotential of Li-air battery reactions with explicit dimethyl sulfoxide (DMSO) solvent through first principles thermodynamics. It is found that considering the surface-solvent interphase model is important for studying LAB reactions closer to the experimental scenario.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Surya Sekhar Manna, Biswarup Pathak
Summary: In this study, the electrochemical window (ECW) of different ionic liquids (ILs) in dual-ion batteries (DIBs) was calculated. The alkyl group of imidazolium cations had little effect on ECW values, while aromatic imidazolium cations were more prone to reduction compared to non-aromatic pyrrolidinium cations. The contribution of cations and anions to cathodic and anodic potentials was investigated, and the AIMD-min method was found to be a robust technique for calculating ECW in liquid systems. This research provides guidance for selecting nonaqueous electrolytes for rechargeable DIBs.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Milan Kumar Jena, Biswarup Pathak
Summary: This article proposes a method of developing an artificially intelligent (AI) nanopore by combining supervised machine learning (ML) and transverse quantum transport technology with a graphene nanopore. The optimized ML model can predict the transmission function of other nucleotides, with a low root-mean-square error (RMSE) of 0.062. Furthermore, the accuracy of classifying unlabeled nucleotides based on their transmission readouts reaches up to 96.01%. The AI nanopore is expected to alleviate the experimental challenges of the quantum-tunneling method and enable rapid and high-precision DNA sequencing by predicting their signature transmission functions.
Article
Chemistry, Organic
Biswajit Das, Sushree Ranjan Sahoo, Amitabha Das, Biswarup Pathak, Debayan Sarkar
Summary: An efficient photocatalytic method for para- and ortho-selective amination and aminative dearomatization of phenols, naphthols, and anilines has been developed using riboflavin tetraacetate as an organic photocatalyst. Tetrabutylammonium bromide is used to control the site selectivity and act as a phase transfer catalyst. The reaction conditions are simple and mild, giving high regioselectivity and good to excellent yields. The broad substrate scope, excellent functional group tolerance, scalability, and post-functionalization make this protocol both useful and regioselective.
Article
Chemistry, Multidisciplinary
Diptendu Roy, Shyama Charan Mandal, Amitabha Das, Biswarup Pathak
Summary: In this study, a scalable machine learning approach was designed to establish a scaling relation among reaction intermediates in CO2 reduction reaction. The approach was validated on complex surfaces and successfully predicted adsorption energies. The proposed method promises to improve the interpretability of machine learning in catalysis.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Priyanka Chandrashekar, Milan Kumar Jena, Gokul Krishnan, Biswarup Pathak, Sukhendu Mandal
Summary: Atom-precise metal nanoclusters with interesting physicochemical properties have attracted significant interest. Ligands play a pivotal role in the assembly of nanoclusters, influenced by weak interaction and ligand type. In this study, a silver-thiolate structure with a one-dimensional helical chain driven by a chiral ligand and Ag(I)Ag(I) interaction is reported. The photoluminescence properties of the chain structure were found to exhibit excitation-dependent emission properties attributed to hydrogen-bonding interactions.
INORGANIC CHEMISTRY
(2023)
Article
Nanoscience & Nanotechnology
Sandeep Das, Souvik Manna, Biswarup Pathak
Summary: This study presents a machine learning approach to accurately predict the voltage and volume changes of polycyclic aromatic hydrocarbon (PAH) cathodes in dual-ion batteries (DIBs). The models trained on a dataset demonstrate exceptional performance in voltage and volume change prediction. The study shows the applicability of PAHs in DIBs and establishes a reliable ML-based workflow for efficient screening and design of advanced PAH cathodes and salts, driving progress in the field of DIBs.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Arunendu Das, Sandeep Das, Biswarup Pathak
Summary: Understanding the property evolution in binary nanoalloy catalysts at a molecular level is important for designing efficient electrocatalysts for ammonia synthesis. Core-shell catalyst structures, such as Cu-15@Fe-50 clusters, can significantly enhance the activity of nitrogen reduction reaction (NRR) by promoting surface restructuring. The *NH2 formation is found to be the lowest endergonic potential determining step during the NRR.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Biswajit Mondal, Arijit Jana, Jayoti Roy, Astrid Campos Mata, Akhil S. Nair, Ananthu Mahendranath, Soumyabrata Roy, Biswarup Pathak, Pulickel M. Ajayan, Thalappil Pradeep
Summary: Polyoxometalates (POMs) are a class of metal oxyanion clusters with promising catalytic potential. In this study, the structures of ternary molybdenum oxo-sulfide clusters were successfully determined, showing excellent electrocatalytic activity.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Sneha Mittal, Souvik Manna, Milan Kumar Jena, Biswarup Pathak
Summary: Artificial intelligence has revolutionized genomics by offering unprecedented opportunities for rapid and cost-effective single-molecule identification. This paper proposes an AI-empowered MoS2 nanochannel for ultra-rapid and high throughput DNA sequencing. The technology utilizes advanced machine learning algorithms to accurately predict DNA transmission fingerprints and achieve perfect classification accuracy.