Advanced Chemistry Research Articles

Efficient removal of pharmaceutical contaminants from water and wastewater using immobilized laccase on activated carbon derived from pomegranate peels

In this study, pomegranate peels (PPs) as an abundant fruit processing waste was used to produce cost-effective, eco-friendly, and high-quality activated carbon. The produced carbon (fossil free activated carbon) was used for immobilizing laccase to remove a range of emerging pollutants namely diclofenac, amoxicillin, carbamazepine, and ciprofloxacin from water and wastewater. The loaded activated carbon by laccase (LMPPs) and the unloaded one (MPPs) were characterized using advanced surface chemistry analysis techniques. MPPs was found to have a porous structure with a large surface area and an abundance of acidic functional groups. Laccase immobilization reduced surface area but added active degradation sites. The optimal immobilization parameters were determined as pH 4, 35 °C, and a laccase concentration of 2.5 mg/mL resulting in a 69.8% immobilization yield. The adsorption of the emerging pollutant onto MPPs is best characterized as a spontaneous endothermic process that adheres to the Langmuir isotherm and first-order kinetics. Using synergistic adsorption and enzymatic degradation, the target pollutants (50 mg/L) were eliminated in 2 h. In both water types, LMPPs outperformed MPPs. This study shows that pomegranate peels can effectively be harnessed as an enzyme carrier and adsorbent for the removal of emerging pollutants even from a complex sample matrix. The removal of contaminants from wastewater lasted five cycles, whereas it continued up to six cycles for water.

Public policy and strategic business recommendations to accelerate adoption of stationary battery energy storage systems (BESS) in India

PurposeInterest in battery energy storage systems (BESS) is high, and technologies such as Li-ion (and other advanced chemistry) batteries in specific use cases are already economically viable. In this paper, the authors build further on the authors' previously published paper1 to estimate the potential positive impact that accelerated adoption of Li-ion batteries for stationary storage per the authors' identified already economically viable use cases, can have both on India's macro-economy and current account deficit as well as in helping meaningfully accelerate circular economy and Sustainable Development Goals (SDG) benefits of green economy transition.Design/methodology/approachThe authors identified key challenges for development of BESS ecosystem and applied quantitative and qualitative assessment methodology for rapid adoption of BESS in India. The authors' study was validated through interviews with stakeholders and the authors summarize applicable findings for emerging countries such as India to encourage faster, wider adoption of energy storage.FindingsThe authors' study provides key policy recommendations to achieve a better balance in policy focus—not only for electronic vehicles (EVs) and utility-scale storage, but also for stationary behind-the-meter storage through key policy measures including placing a CESS on diesel generators (DGs), differential tariffs, encouraging advanced battery imports as a way to reduce crude oil imports, green financing and investments in de-carbonized energy breakthrough technologies (e.g. gravity-based energy storage systems). The authors recommend key technology priorities and strategic business rationale for private sector efforts by developing competitive advantages for non-battery hardware and software and expanding into emerging markets, with potential US$15–20+bn enterprise value.Originality/valueWhile the dominant discourse focuses on EVs and utility scale applications of storage, the authors' paper shows the larger near term opportunity for impact is in stationary storage that too in end-user adoption use cases.

Nanotechnology Applications in Sepsis: Essential Knowledge for Clinicians.

Sepsis is a life-threatening condition caused by a dysregulated host response to an invading pathogen such as multidrug-resistant bacteria. Despite recent advancements, sepsis is a leading cause of morbidity and mortality, resulting in a significant global impact and burden. This condition affects all age groups, with clinical outcomes mainly depending on a timely diagnosis and appropriate early therapeutic intervention. Because of the unique features of nanosized systems, there is a growing interest in developing and designing novel solutions. Nanoscale-engineered materials allow a targeted and controlled release of bioactive agents, resulting in improved efficacy with minimal side effects. Additionally, nanoparticle-based sensors provide a quicker and more reliable alternative to conventional diagnostic methods for identifying infection and organ dysfunction. Despite recent advancements, fundamental nanotechnology principles are often presented in technical formats that presuppose advanced chemistry, physics, and engineering knowledge. Consequently, clinicians may not grasp the underlying science, hindering interdisciplinary collaborations and successful translation from bench to bedside. In this review, we abridge some of the most recent and most promising nanotechnology-based solutions for sepsis diagnosis and management using an intelligible format to stimulate a seamless collaboration between engineers, scientists, and clinicians.

Copper(I)-Catalyzed Kinugasa Reactions in an Undergraduate Organic Chemistry Laboratory

A β-lactam, the core structure unit of clinically important antibiotics such as penicillin and cephalosporin, is one of the most commonly encountered four-membered heterocycles in organic chemistry and is widely used in medicine and biochemistry. The Kinugasa reaction, a copper(I)-catalyzed cycloaddition of a terminal alkyne with a nitrone, is a straightforward and atom economic approach to 2,3-disubstituted β-lactams. This paper describes a comprehensive chemistry experiment involving the Kinugasa reaction in an advanced undergraduate organic chemistry laboratory course. Undergraduate students perform the Kinugasa reaction on the benchtop and isolate and characterize the β-lactam product. An understanding of this named reaction and the connection of organic chemistry with medicinal chemistry are specially emphasized in the class. Several modern chemistry concepts that are missing from traditional organic courses such as β-lactam chemistry, [3 + 2] cycloaddition, atom economy, and the important role of transition metal catalysis in organic reactions are introduced to students in this course.

Abstract LB317: Discovery and characterization of a next-generation FGFR inhibitor overcoming FGFR resistant mutations

Abstract Introduction: FGFRs play important roles in cancer development and inhibition of FGFR could disrupt tumor cell proliferation and growth. Four selective FGFR inhibitors have been approved (erdafitinib, pemigatinib, infigratinib, and futibatinib) and several others are in clinical development. Unfortunately upon treatment with these first-generation FGFR inhibitors, acquired resistance often develops and is frequently associated with the emergence of secondary FGFR2/3 kinase domain mutations. Therefore, selectively targeting FGFR2/3 as well as their resistant mutations may render a second-generation treatment approach for the refractory/relapsed patients. Using advanced computation-aided structural analysis and medicinal chemistry design, we have discovered a novel, next-generation, and highly selective FGFR inhibitor, ABSK121. This novel inhibitor demonstrated robust anti-tumor activity in FGFR-dependent tumor models with strong activities against not only de novo but also acquired resistant mutations. Method: ABSK121 was evaluated in biochemical and cellular proliferation experiments for its inhibition on wile type FGFR enzymatic activity and FGFR-dependent cancer cell proliferation. Its potency against FGFR mutations was also analyzed in relevant biochemical and cellular experiments. Efficacy studies were conducted in multiple tumor models to confirm its in vivo activities. Preliminary selectivity profile and ADME profiles were also evaluated. Results: ABSK121 inhibited wild type FGFRs with IC50<10 nM in biochemical assay. ABSK121 also displayed great potency against resistant kinase domain mutations. In cell lines harboring FGFR amplification, fusions, or resistant mutations, ABSK121 demonstrated strong anti-proliferation activity as well as strong inhibition of FGFR downstream signaling activities. In preclinical in vivo studies, oral administration of ABSK121 strongly inhibited the growth of subcutaneous xenograft tumors dependent on wild type or resistant mutant FGFR. Suppression of tumor growth was dose-dependent and well correlated with pharmacodynamic inhibition of FGFR signaling. ABSK121 also showed great kinase selectivity with no CYP or hERG inhibition. Conclusion: ABSK121, presented here by Abbisko Therapeutics, is a highly potent, selective, and next-generation small molecule FGFR inhibitor with great potency against resistant FGFR mutations. Its superior profile supports fast-track preclinical and clinical development. Citation Format: Haiyan Ying, Wenqun Xin, Haibing Deng, Yuan Zhao, Hongping Yu, Zhui Chen, Yao-chang Xu. Discovery and characterization of a next-generation FGFR inhibitor overcoming FGFR resistant mutations [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2023; Part 2 (Clinical Trials and Late-Breaking Research); 2023 Apr 14-19; Orlando, FL. Philadelphia (PA): AACR; Cancer Res 2023;83(8_Suppl):Abstract nr LB317.

Abstract LB328: Discovery & characterization of a next-generation FGFR4 inhibitor overcoming resistant mutations

Abstract Introduction: Aberrant activation of FGF19-FGFR4 signaling pathway plays an essential role in the tumorigenesis of Hepatocellular carcinoma (HCC) and FGFR4 inhibitors have shown preliminary efficacy in recent clinical trials for patients with FGF19 overexpression. However, the observed responses only lasted a few months before tumors relapse. Acquired FGFR4 resistant mutations were found in ~30% of FGFR4 inhibitor responsive patients. Similar FGFR4 mutations haven also been found de novo in about 7-10% of Rhabdomyosarcoma (RMS) and ER-treated invasive lobular carcinoma patients. First generation FGFR4 inhibitors have minimal activity against these de novo or acquired resistant mutations. Therefore, next-generation of FGFR4 inhibitors are needed to overcome these resistant FGFR4 mutations to provide better treatment options for patients. Using advanced computation-aided structural analysis and medicinal chemistry design, we have discovered a next-generation small molecule FGFR4 inhibitor, ABSK012, and demonstrated its strong activities against de novo and acquired resistant FGFR4 mutations while retaining inhibition for wild-type FGFR4. Method: Inhibitory activity of ABSK012 against FGFR4 and FGFR4 mutants was evaluated by MSA assay and its inhibition on FGFR4-dependent cell proliferation was evaluated by Celltiter-Glo assay in wile type FGFR4-dependent cancer cell lines or mutant FGFR4-dependent Ba/f3 cell lines. Its selectivity against other FGFR family member and kinases was analyzed by cellular and KinomeScan profiling. Efficacy studies were conducted in HCC xenograft models and mutant FGFR4-dependent xenograft models including a RMS PDX model harboring FGFR4 V550L mutation. Results: ABSK012 demonstrated strong potency over multiple FGFR4 mutants that are insensitive to a first generation FGFR4 inhibitor BLU-554. It also inhibited wild-type FGFR4 with IC50<5 nM in biochemical assay and exhibited great selectivity against other kinases. In multiple mutant and wild-type FGFR4-dependent cell lines, ABSK012 demonstrated significantly improved anti-proliferation activity. In preclinical in vivo studies in HCC models, oral administration of ABSK012 strongly inhibited the tumor growth at doses without obvious toxicities. More importantly, in a RMS PDX xenograft harboring FGFR4 V550L mutation, ABSK012 also showed significant anti-tumor activity. Other ADME and safety profiling demonstrated excellent drug-like properties of ABSK012. Conclusion: ABSK012, presented here by Abbisko Therapeutics, is a highly potent, selective, and next-generation small molecule FGFR4 inhibitor overcoming FGFR4 mutations resistant to first-generation inhibitors. Its superior preclinical profile supports its fast-track development into clinic. Citation Format: Haiyan Ying, Nannan Zhang, Haibing Deng, Fei Yang, Wenqun Xin, Bin Shen, Hongping Yu, Zhui Chen, Yao-chang Xu. Discovery & characterization of a next-generation FGFR4 inhibitor overcoming resistant mutations [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2023; Part 2 (Clinical Trials and Late-Breaking Research); 2023 Apr 14-19; Orlando, FL. Philadelphia (PA): AACR; Cancer Res 2023;83(8_Suppl):Abstract nr LB328.

Introduction to Pharmaceutical Co-amorphous Systems Using a Green Co-milling Technique.

The concept of co-amorphous systems is introduced in an integrated laboratory experiment, designed for advanced chemistry students, using solvent-free, environmentally friendly mechanochemistry. The dual-drug naproxen-cimetidine co-amorphous system (NPX-CIM) is investigated as an example of the emergent field of medicinal mechanochemistry. Students are trained in solid-state characterization techniques including X-ray powder diffraction, Fourier-transform infrared spectroscopy, and thermal analysis by differential scanning calorimetry. This lab experiment also provides an opportunity to discuss the relevance of different solid forms of pharmaceutics, emphasizing particular properties of disordered materials. This experiment can easily fit the curriculum of any Chemistry or Pharmacy master level degree in courses dealing with instrumental analysis, solid state chemistry, or green chemistry, for classes of 6 to 18 students, in a 5-h lab session. Suggestions to adapt it to the use of a single characterization technique are provided.

Computational evaluation of bioactive compounds from Viscum album (mistletoe) as inhibitors of p63 for pancreatic cancer treatment

Pancreatic ductal adenocarcinoma is an aggressive malignancy usually detectable at the advanced stage, with a 5-year survival rate of less than 8%. It has been reported that a gene called tumor-protein 63 (TP63) is expressed in an aggressive form of pancreatic cancer with a squamous signature. Thus, inhibiting the activity of p63 can be a means of treating and managing PDA. Different studies have shown that plant constituents are rich and can be a promising source for discovering drug candidates. The extract from mistletoe (Viscum album) is known to contain anticancer compounds; however, the specific molecular mechanism of the bioactive compounds is unknown. This study examines the pancreatic cancer therapeutic potential of the bioactive compounds in the flavonoid and phenolic acid constituents of mistletoe by adopting structural bioinformatics and advanced theoretical chemistry techniques via molecular docking, molecular dynamics simulation, molecular mechanics/generalized Born surface area (MM/GBSA) calculations, pharmacokinetic analysis, and density functional theory analysis. The six best compounds from the flavonoid constituent with the highest binding affinity ranging from −6.8 kcal/mol to −6.7 kcal/mol were selected with the control gemcitabine (−5.5 kcal/mol) for further computational analysis after molecular docking. Furthermore, MM/GBSA calculation showed the highest binding energy for the selected docked compounds, which validates their inhibitory potential. Hence, the molecular dynamics simulation, post-simulation analysis, pharmacokinetics model, and DFT results showed that mistletoe compounds are reliable due to their stable interaction with the target protein and drug-likeness properties. Communicated by Ramaswamy H. Sarma

Oxygen-Related Defect Engineering of Amorphous Vanadium Pentoxide Cathode for Achieving High-Performance Thin-Film Aqueous Zinc-Ion Batteries

Thin-film aqueous zinc-ion batteries are expected to serve as next-generation energy storage devices that are both low-cost and safe. However, to realize practical energy storage devices based on zinc-ion batteries, it is necessary to develop reliable, high-capacity cathode materials. In this study, we prepared a V2O5-based thin-film electrode and investigated the effect of varying the Ar pressure during radio frequency magnetron sputtering of V2O5, a representative cathode material in thin-film zinc-ion batteries, to control the number of oxygen vacancies in the oxide lattice. The optimized V2O5 thin-film electrode exhibited enhanced electrochemical activities, low degree of polarization, improved ion diffusion, and increased electrical conductivities. Specifically, an oxygen-deficient V2O5–x thin-film prepared by sputtering under high pressure exhibited a high rate capability (57.2 mAh g–1 at 20 C) and superior electrochemical performance (105.2 mAh g–1 for up to 1000 cycles at a current density of 5 C). The mechanism for the performance enhancement was revealed by density functional theory calculations, which showed that the oxygen-deficient V2O5–x had a lower Zn2+-ion diffusion energy barrier than that of pristine V2O5. This defect engineering strategy for tuning the oxidation state should aid in designing high-performance cathodes for advanced thin-film aqueous battery chemistry.

A kinetics mechanism of NOX formation and reduction based on density functional theory

NOX are serious pollutants emitted during combustion, which are greatly harmful to human health and the environment. However, previous studies have not accurately elucidated the NOX conversion mechanism in complicated combustion reactions. To reveal the micro-chemical mechanism of NOX conversion and obtain accurate kinetics data, advanced quantum chemistry methods are employed in this study to systematically explore the pathways of NOX formation and reduction, and determine the new rate coefficients. An energy barrier analysis revealed that during NOX formation (N2 → N2O → NO→NO2), NO is primarily produced by a sequence of reactions (N2 + O → N2O → NO) rather than the traditional reaction (O + N2 → NO+N). Meanwhile, NO2 formation (NO→NO2) largely depends on the O and HO2 radicals, while the active O atom can promote both the formation and destruction of NO2. During NOX reduction (NO2 → NO→N2O → N2), NO2 reduction (NO2 → NO) is closely related to H, CO, and O, whereas CO plays a critical role in NO2 destruction. However, NO reduction (NO→N2O) is unfavourable because of a high energy barrier, while N2O reduction (N2O → N2) is strongly affected by the O atom instead of CO. HONO is mainly formed when NO2 reacts with the HO2 and H radicals, and when NO reacts with OH radicals; thus, HONO consumption largely depends on OH and H radicals. Based on the transition state theory, we obtained new kinetic parameters for NOX conversion, which supplement and correct critical kinetics data obtained from the current NOX model. Performance assessment of the proposed NOX kinetic mechanism reveals that it can improve the existing NOX kinetic mode, which is in good agreement with experimental data.

Concise synthesis of (R)-reticuline and (+)-salutaridine by combining early-stage organic synthesis and late-stage biocatalysis.

Efficient access to the morphinan scaffold remains a major challenge in both synthetic chemistry and biotechnology. Here, a biomimetic chemo-enzymatic strategy to synthesize the natural promorphinan intermediate (+)-salutaridine is demonstrated. By combining early-stage organic synthesis with enzymatic asymmetric key step transformations, the prochiral natural intermediate 1,2-dehydroreticuline was prepared and subsequently stereoselectively reduced by the enzyme 1,2-dehydroreticuline reductase obtaining (R)-reticuline in high ee and yield (>99% ee, up to quant. conversion, 92% isol. yield). In the final step, membrane-bound salutaridine synthase was used to perform the selective ortho-para phenol coupling to give (+)-salutaridine. The synthetic route shows the potential of combining early-stage advanced organic chemistry to minimize protecting group techniques with late-stage multi-step biocatalysis to provide an unprecedented access to the medicinally important compound class of promorphinans.

On the development of proteomics: a brief history

Although one can trace the roots of proteomics well back into the 20th century, it is basically a discipline of the new millennium. At its outset, it was defined primarily by the technology available to analyze complex mixtures (basically 2D-gel electrophoresis, hybridizations/arrays and mass spectrometry) and what mainly set it aside from protein chemistry, that had flourished since the end of the second world war, was this use of unfractionated starting material as opposed to homogenous samples. Early on, two major new insights were quickly revealed: that the protein complement of cells was overwhelmingly involved in multiple protein–protein interactions and that it was nearly universally involved in a myriad of post-translational modifications. The revelations of the complex networks that result from these two phenomena have created a new understanding of cell biology that has affected our appreciation of such processes as transcription and translation, transmembrane signaling, differentiation, homeostasis and cell death. The development of these methods and strategies that principally characterize the field of proteomics depended heavily on the evolution of those that advanced protein chemistry, particularly during the last half of the twentieth century leading up to the elucidation of the human genome and will be briefly summarized in this article.

Sustainable zinc-air battery chemistry: advances, challenges and prospects.

Sustainable zinc-air batteries (ZABs) are considered promising energy storage devices owing to their inherent safety, high energy density, wide operating temperature window, environmental friendliness, etc., showing great prospect for future large-scale applications. Thus, tremendous efforts have been devoted to addressing the critical challenges associated with sustainable ZABs, aiming to significantly improve their energy efficiency and prolong their operation lifespan. The growing interest in sustainable ZABs requires in-depth research on oxygen electrocatalysts, electrolytes, and Zn anodes, which have not been systematically reviewed to date. In this review, the fundamentals of ZABs, oxygen electrocatalysts for air cathodes, physicochemical properties of ZAB electrolytes, and issues and strategies for the stabilization of Zn anodes are systematically summarized from the perspective of fundamental characteristics and design principles. Meanwhile, significant advances in the in situ/operando characterization of ZABs are highlighted to provide insights into the reaction mechanism and dynamic evolution of the electrolyte|electrode interface. Finally, several critical thoughts and perspectives are provided regarding the challenges and opportunities for sustainable ZABs. Therefore, this review provides a thorough understanding of the advanced sustainable ZAB chemistry, hoping that this timely and comprehensive review can shed light on the upcoming research horizons of this prosperous area.

13 C+D] Double Labeling with Calcium Carbide: Incorporation of Two Labels in One Step.

D-labeling is a valuable tool in advanced synthetic chemistry and pharmacy. However, D-incorporation significantly complicates the identification of products. In fact, D labels are invisible in 1 H-NMR spectra and cause undesirable splitting in 13 C-NMR spectra which decreases the detectable limits. At the same time, 2 H-NMR spectra are not effective for precise identification due to low sensitivity and the absence of correlations with 1 H atoms. Here, 13 C-label was considered as an accompanying label for D-label in [13 C+D] unit for identification of D-containing sites and to track D-labels. [13 C+D]-doubly labeled vinyl derivatives and triazoles were synthesized using 13 C-labeled calcium carbide as a source of 13 C-label and deuterium oxide as a source of D-label. The reaction occurred in one-step manner accompanied with in situ doubly labeled acetylene formation. Non-labeled, mono-labeled and doubly labeled substrates were isolated in 25-80% yields.

Massive tools advanced big chemistry

Massive tools advanced big chemistry

Massive tools advanced big chemistry in 2022

Massive tools advanced big chemistry in 2022

Heteroatom Coordination Regulates Iron Single-Atom-Catalyst with Superior Oxygen Reduction Reaction Performance for Aqueous Zn-Air Battery.

Platinum group metal (PGM)-free M-N-C catalysts have exhibited dramatic electrocatalytic performance and are considered the most promising candidate of the Pt catalysts in oxygen reduction reaction (ORR). However, the electrocatalytic performance of the M-N-C catalysts is still limited by their inferior intrinsic activity and finite active site density. Regulating the coordination environment and increasing the pore structure of the catalyst is an effective strategy to enhance the electrocatalytic performance of the M-N-C catalysts. In this work, the coordination environment and pore structure exquisitely regulated Fe-N-C catalyst exhibit excellent ORR activity and durability. With the enhanced intrinsic activity and increased active site density, the optimized Fe-N/S-C catalyst shows impressive ORR activity (E1/2 = 0.904V vs reversible hydrogen electrode (RHE)) and superior long-term durability in an alkaline medium. As the advanced physical characterization and theoretical chemistry methods illustrate, the S-modified Fe-Nx (Fe-N3 /S-C) moiety is confirmed as the improved active center for ORR, and the increased active site density further improved ORR efficiency. Based on the Fe-N/S-C cathode, a Zn-air battery is fabricated and shows superior power density (315.4mW cm-2 ) and long-term discharge stability at 20mA cm-2 . This work would open a new perspective to design atomically dispersed iron-metal site catalysts for advanced electro-catalysis.

Abstract IA010: NCATS Collaborative Translational Research/Drug Development Resources

Abstract The mission of the National Center for Advancing Translational Sciences (NCATS) is to catalyze the generation of innovative methods and technologies that will enhance the development, testing, and implementation of interventions across a wide range of human diseases and conditions. NCATS is directly addressing this problem by discovering new technologies and other approaches that could greatly accelerate the process of developing and deploying therapeutic solutions. An introduction of the Center’s internal research operations will be presented, focusing on the use of advanced assay and chemistry technologies to address the wide range of needs associated with early discovery space. Further, an overview of collaborative opportunities for joint projects will be provided. Citation Format: Anton Simeonov. NCATS Collaborative Translational Research/Drug Development Resources [abstract]. In: Proceedings of the Second Biennial NCI Meeting: Translational Advances in Cancer Prevention Agent Development (TACPAD); 2022 Sep 7-9. Philadelphia (PA): AACR; Can Prev Res 2022;15(12 Suppl_2): Abstract nr IA010.

Reasons for not/choosing chemistry: Why advanced level chemistry students in England do/not pursue chemistry undergraduate degrees

AbstractThere are international concerns about decreasing rates of chemistry degree enrolment. This article seeks to understand students' reasons for not/choosing to pursue a chemistry degree, drawing on (i) open‐ended survey responses from a sample of 506 students in England aged 21–22 who had studied advanced level (“A level”) chemistry at age 18 (as either a full A level or a half “AS” level) and had either chosen (n = 70) or not chosen (n = 436) to pursue undergraduate chemistry and (ii) 185 interviews conducted with a subsample of 18 young people who had been longitudinally tracked from age 10 to 22 (with 17 of their parents) who took advanced level chemistry and then either did (n = 5), or did not (n = 13) go on to study for a chemistry degree. Analysis revealed four key reasons for not/choosing chemistry that were present to varying extents in both the quantitative and qualitative data (relative interest, connection and options; experiences of chemistry A level; feeling “not/clever enough”; and views of chemistry jobs). Four additional factors were predominantly found in the qualitative data (associations of chemistry with masculinity; encouragement from a significant adult; views of higher education; and chemistry work experience/outreach). Applying a sociological lens, we suggest that not/choosing chemistry was a relational process, produced through interactions of habitus, capital, and field. We identify conceptual and methodological implications and extrapolate reasons why chemistry degree enrolments may be declining, offering suggestions for how chemistry education might further support participation.

A Review on Digitalization Approaches for Battery Manufacturing Processes

Lithium ion batteries (LiBs) continue to be the most advanced technology in the battery systems as the world rushes to meet the diverse and expanding demands of the energy storage solutions. Research institutions, academia and industries requires a safer, high-performance and cheaper LiBs to accelerate the transition from oil-based to an electrical-based economy. Because of some interdependent electrochemical kinetics involved in the LiB chemistry, and time it takes for the fabrication process it became one of the challenging aspects in this modern day life as it is time consuming and needs to be updated with upcoming materials and methodologies[1]. To overcome these challenges quickly, introduction of digital tools [2] which can optimize the parameters of making LiBs are being researched and are trying to implement them in the battery manufacturing industry. Typically, the state of art manufacturing of batteries is a sequence of intermittent steps like slurry preparation, coating and drying, electrode cutting, calendaring, stacking pouch cell formation, electrolyte filling, sealing and mechanical and electrochemical testing which have to be precisely controlled and optimize each dependent parameters carefully and reorganize them for the fabrication to adopt to new systems which takes a lot of effort and machine handling for new innovative battery technologies. Automation of this manufacturing process with Artificial Intelligence (AI), Machine learning(ML) or Internet of Things (IoT) is the new way of approach [3]. These approaches can help the research and battery manufacturing plants to meet the demands of cost effectiveness, sustainability, time needs and scalability. Digitalization of these techniques on one hand can reduce the time to market and provide a profitable manufacturing and on the other hand it can guide the cell prototyping and advanced cell chemistry to the new manufacturing tools in the virtual way. Thus the designing tools cost, prototyping cost also can be reduced. The abstract reviews both experimental and computational approach to undergo smooth transition in the battery manufacturing process.References Witt, D. et al. Myth and Reality of a Universal Lithium-Ion Battery Electrode Design Optimum: A Perspective and Case Study. Energy Technol. 9, (2021).Ramakrishna, S., Khong, T. C. & Leong, T. K. Smart Manufacturing. Procedia Manuf. 12, 128–131 (2017).dos Reis, G., Strange, C., Yadav, M. & Li, S. Lithium-ion battery data and where to find it. Energy AI 5, (2021).