Chemical Research Research Articles

Structural parameter optimization of a fused all-fiber probe for light manipulation and multi-particle capture

We propose and experimentally demonstrate an economical optical tweezers probe based on the fusion of several commercial optical fibers. By optimizing the structural parameters of the probe, non-contact active capture and manipulation of single or multiple biological particles were achieved. First, the probe structural parameter range was analyzed theoretically, and the theory was cross-verified by the finite element method. Second, the influence of the probe structure and length parameters on the laser focusing performance and particle capture ability was studied, and the optimal structural parameters of the probe in particle capture were determined. The measured capture distance exceeded 50 µm, and the movement velocity of the particle during manipulation was measured. Finally, the capture performance before and after parameter optimization was compared with the dynamic effect of the particles, and the generation mechanism of multiple light traps and the mechanical properties of multi-particles during multi-particle capture were studied. The results indicate that this probe is expected to be used in biological or chemical micromanipulation research.

Recent Advances in the Synthetic Utility of ortho-Quinone Methides for Cyclization Reactions: A Versatile Skeleton

In the past decade, the field of ortho-quinone methides (o-QMs) has witnessed remarkable advancements, underscoring their pivotal role as synthetic intermediates in organic chemistry. These electrically neutral species, distinguished by a cyclohexadiene moiety conjugated with a carbonyl and an exo-methylene group, possess an aromatic zwitterionic resonance structure. This unique framework endows them with a pronounced electrophilicity, particularly at the 1,4-positions. The rich chemistry of o-QMs encompasses three principal reaction modalities: 1,4-conjugated addition, [4 + X] cycloaddition (X = 1, 2, 3, etc.), and oxa-6π- electrocyclization pathways. Specifically, the synthesis of chromane derivatives is achieved through [4 + 2] cycloaddition and subsequent oxa-6π-electrocyclization, whereas benzofuran derivatives are accessed via the [4 + 1] cycloaddition route. This review provides a systematic summary of the latest advancements in cycloaddition reactions involving ortho-quinone methides and their derivatives. It offers an in-depth analysis of the substrate diversity and potential reaction mechanisms underlying these transformations. The cycloaddition reactions presented herein are uniformly characterized as ionic systems, with the tautomerization between the oxygen anion generated subsequent to the deprotonation of o-QMs and the resulting carbonyl group identified as a pivotal step for reaction activation. Moreover, we have expanded on the discussion to include a detailed examination of drug intermediate compounds derived from o-QMs. These skeletal derivatives are highlighted for their growing utility in the realm of drug design and synthesis, effectively bridging the divide between foundational research and pharmaceutical applications. We aspire to stimulate the evolution and innovation of synthetic methodologies that leverage o-QMs as scaffolds. By in-depth investigation of the o-QMs-mediated cyclization reactions, we aim to offer theoretical insights that will guide the synthesis of intricate (chiral) cyclic compounds, thereby enhancing the practical application of o-QMs in both chemical research and medical development.

Review Article: Anatomical and Physiological Development of Reproductive System in Female Murine

The aim of this article is to address the challenges associated with the accurate and consistent staging of the estrous cycle in female laboratory animals, which is critical for reproductive research and preclinical safety evaluations of drugs and chemicals. Laboratory animals, particularly female murine models, are widely used in research as models for mammalian health and disease. However, many substances tested during preclinical investigations interfere with reproductive function, causing morphological changes in the reproductive tract or disruptions in the phases of the estrous cycle. Recognising these alterations requires a thorough understanding of the histological changes in the reproductive tract throughout the cycle. Existing literature, while comprehensive, often lacks precise criteria for defining the transitions between stages of the cycle, creating inconsistencies in staging. This review adopts a pragmatic and practical approach, synthesising personal experience and a century of literature to present a detailed examination of the anatomical and physiological development of the female murine reproductive system. The review emphasises the histological characteristics of the reproductive tract during different estrous phases, providing a framework for consistent and accurate staging. The findings highlight the reproductive traits that make female murine models ideal for reproductive research, including their well-documented physiology and reliable cycle patterns. This article serves as a valuable resource for toxicological pathologists and researchers, offering clarity on staging methods and reaffirming the relevance of murine models in reproductive studies.

2D biphenylene: exciting properties, synthesis & applications.

In the current era of nanotechnology, the isolation of graphene has acted as a catalyst for the study and creation of many innovative two-dimensional (2D) materials with distinctive functions. The recent synthesis of biphenylene (BPN), a porous 2D carbon allotrope, has ignited significant research interest due to its unique and tunable properties, making it a promising candidate for diverse applications in hydrogen storage, batteries, sensing, electrocatalysis, and beyond. Although a considerable amount of research has been carried out on biphenylene, there is hardly any review article on this fascinating material. Therefore, this comprehensive review article focuses on the fascinating properties of the advanced graphene family and 2D biphenylene. Additionally, there has been an in-depth discussion on 2D biphenylene, covering its synthesis process, recent advancements, and its applications in various fields. Moreover, this review will be useful to professionals and researchers in materials science, physics, chemistry, chemical engineering, and related subjects since it provides detailed information on the characteristics, synthesis, and applications of 2D biphenylene.

Dirhodium-Palladium Dual-Catalyzed [1 + 1 + 3] Annulation to Heterocycles Using Primary Amines or H2O as the Heteroatom Sources.

The ever-increasing demand in chemical biology and medicinal research requires the development of new synthetic methods for the rapid construction of libraries of heterocycles from simple raw materials. In this context, the utilization of primary amines or H2O as the simple N- or O-sources in the assembly of a heterocyclic ring skeleton is highly desirable from the viewpoint of atom- and step-economy. Herein, we describe a highly efficient three-component reaction of diazo, allylic diacetates, and commercially available anilines (or H2O) to access structurally diverse pyrrolidine and tetrahydrofuran derivatives. This formal [1 + 1 + 3] annulation reaction features high efficiency, good yields, and broad functional group compatibility, making it a versatile and robust platform for the (formal) synthesis of several important bioactive molecules. Mechanistic studies suggested that the dirhodium-palladium bimetallic relay catalysis should play a key role in the successive steps of the current reaction, including sequential carbene insertion into the X-H bond and double allylic substitutions, thus allowing for building up molecular complexity from these simple raw materials.

Micro- and milli-fluidic sample environments for in situ X-ray analysis in the chemical and materials sciences.

X-ray-based methods are powerful tools for structural and chemical studies of materials and processes, particularly for performing time-resolved measurements. In this critical review, we highlight progress in the development of X-ray compatible microfluidic and millifluidic platforms that enable high temporal and spatial resolution X-ray analysis across the chemical and materials sciences. With a focus on liquid samples and suspensions, we first present the origins of microfluidic sample environments for X-ray analysis by discussing some alternative liquid sample holder and manipulator technologies. The bulk of the review is then dedicated to micro- and milli-fluidic devices designed for use in the three main areas of X-ray analysis: (1) scattering/diffraction, (2) spectroscopy, and (3) imaging. While most research to date has been performed at synchrotron radiation facilities, the recent progress made using commercial and laboratory-based X-ray instruments is then reviewed here for the first time. This final section presents the exciting possibility of performing in situ and operando X-ray analysis in the 'home' laboratory and transforming microfluidic and millifluidic X-ray analysis into a routine method in physical chemistry and materials research.

Chemical biology research in RIKEN NPDepo aimed at agricultural applications.

This review outlines research on chemical biology using mainly microbial metabolites for agricultural applications. We established the RIKEN Natural Products Depository (NPDepo), housing many microbial metabolites, to support academic researchers who focus on drug discovery. We studied methods to stimulate secondary metabolism in microorganisms to collect various microbial products. The switch of secondary metabolism in microorganisms changes depending on the culture conditions. We discovered compounds that activate biosynthetic gene clusters in actinomycetes and filamentous fungi. Using these compounds, we succeeded in inducing the production of active compounds. Two approaches for screening bioactive compounds are described. One is phenotypic screening to explore antifungal compounds assisted by artificial intelligence (AI). AI can distinguish the morphological changes induced by antifungal compounds in filamentous fungi. The other is the chemical array method for detecting interactions between compounds and target proteins. Our chemical biology approach yielded many new compounds as fungicide candidates.

Fabrication of Lab-on-a-Chip Devices to Study the Forces Imparted by Growing Phytophthora Hyphae.

In this chapter, we describe the design and manufacture of a Lab-on-a-Chip (LoC) device suitable for measuring the μN forces exerted by tips of growing Phytophthora hyphae. LoC describes microfluidic devices, typically made of the polymer polydimethylsiloxane (PDMS), that are increasingly being used to answer fundamental questions in biological, chemical, physical, and medical research. These LoC devices enable the integration of several laboratory functions on small plastic devices that are quick to produce and easy to replicate. While we describe the design and manufacture of one particular device, the methods covered are applicable to any chip design, and such devices could be used to investigate many aspects of Phytophthora biology.

Contribution to the Electrochemical Sensors and Biosensors field by the Electrochemical and Analytical Chemistry research areas at UAM-I

An overview of the electrochemical sensors and biosensors developed at Universidad Autónoma Metropolitana Unidad Iztapalapa, is summarized by describing the principal contributions in the field performed by the Electrochemistry and Analytical Chemistry research areas of the Chemistry Department. Here, we divided the contributions into four main groups: fabrication and characterization of surfaces, electrochemical sensors and biosensors with environmental applications, electrochemical sensors and biosensors with applications in the food industry, and electrochemical sensors and biosensors with biomedical applications in the healthcare industry; the foundation of the Institution, the creation of the Electrochemistry and Analytical Chemistry research areas, and the first electrochemical sensor development at the institution are cited in the historical context of the scientific electrochemical sensors and biosensors timeline. Resumen. Una visión general de los sensores y biosensores electroquímicos desarrollados en la Universidad Autónoma Metropolitana Unidad Iztapalapa, se resume describiendo los principales aportes en el campo realizados por las áreas de investigación de Electroquímica y Química Analítica del Departamento de Química de esta institución. Hemos dividimos las contribuciones en cuatro grupos principales: fabricación y caracterización de superficies, sensores y biosensores electroquímicos con aplicaciones ambientales, sensores y biosensores electroquímicos con aplicaciones en la industria alimentaria, y sensores y biosensores electroquímicos con aplicaciones biomédicas en la industria para el cuidado de la salud; la creación de la Institución, las áreas de investigación de electroquímica y química analítica, así como el primer sensor electroquímico desarrollado en la Institución, se citan en el contexto histórico de la cronología científica de los sensores y biosensores electroquímicos en el mundo.

PROCESSO DE INOVAÇÃO PARA TECNOLOGIAS QUÍMICAS NASCIDAS EM UNIVERSIDADES: AÇÕES DO LABORATÓRIO ESCALAB-UFMG

INNOVATION PROCESS FOR CHEMICAL TECHNOLOGIES BORN IN UNIVERSITIES: ACTIONS OF THE ESCALAB-UFMG LABORATORY. In this work, the innovation process to take chemical technologies born in universities to the market is described. The discussion is structured on the stages: research/science, patenting, opportunity evaluation, scale-up and proof of concept that lead to two possible outputs: technology transfer or startup creation. The work also describes the activities of Escalab, a UFMG technology lab, in the innovation process: technological mapping/R&D for the industry, technology scale up, technology acceleration, open innovation programs with industry and the program “go-to-market” for the insertion of chemical startups in market. It is expected that this experience should motivate academic chemistry researchers to push their technologies to the market.

Light-harvesting microelectronic devices for wireless electrosynthesis.

High-throughput experimentation (HTE) has accelerated academic and industrial chemical research in reaction development and drug discovery and has been broadly applied in many domains of organic chemistry1,2. However, application of HTE in electrosynthesis-an enabling tool for chemical synthesis-has been limited by a dearth of suitable standardized reactors3-7. Here we report the development of microelectronic devices, which are produced using standard nanofabrication techniques, to enable wireless electrosynthesis on the microlitre scale. These robust and inexpensive devices are powered by visible light and convert any traditional 96-well or 384-well plate into an electrochemical reactor. We validate the devices in oxidative, reductive and paired electrolysis and further apply them to achieve the library synthesis of biologically active compounds and accelerate the development of two electrosynthetic methodologies. We anticipate that, by simplifying the way electrochemical reactions are set up, this user-friendly solution will not only enhance the experience and efficiency of current practitioners but also substantially reduce the barrier for nonspecialists to enter the field of electrosynthesis, thus allowing the broader community of synthetic chemists to explore and benefit from new reactivities and synthetic strategies enabled by electrochemistry8-12.

Beyond chemical structures: lessons and guiding principles for the next generation of molecular databases.

Databases of molecules and materials are indispensable for advancing chemical research, especially when enriched with electronic structure information from quantum chemistry methods like density functional theory. In this perspective, we review and analyze the current landscape of materials and molecular databases containing quantum chemical data. Our analysis reveals that the materials community has significantly benefited from data platforms such as the Materials Project, which seamlessly integrate chemical structures, electronic structure data, and open-source software. Conversely, quantum chemical data for molecular systems remains largely fragmented across individual datasets, lacking the comprehensive framework of a unified database. We distilled insights from these existing data resources into seven guiding principles termed QUANTUM, which build upon the foundational FAIR principles of data sharing (Findable, Accessible, Interoperable, and Reusable). These principles are aimed at advancing the development of molecular databases into robust, integrated data platforms. We conclude with an outlook on both short- and long-term objectives, guided by these QUANTUM principles, to foster future advancements in molecular quantum databases and enhance their utility for the research community.

Proline-based Organocatalyst for the Synthesis of Arylidene Benzofuranone Intermediates Enabling the Construction of Aurone-derived Azadienes

: Organocatalysis has been recognized as a part of chemical research for a long time, and it gained significant attention in catalysis in recent decades. Amine catalyst is a substantial type of organocatalysis, and it is successively employed for the activation of carbonyl compounds. This manuscript delves into the exploration of a proline-based organocatalyst for the synthesis of arylidene benzofuranone intermediates, a critical step that facilitates the subsequent construction of aurone-derived azadienes. In this work, we successfully reported the synthesis of arylidene benzofuranone intermediates through Aldol condensation of benzofuranone with different aldehydes enabled by proline-derived organic catalysts. To achieve this strategy, six examples of amine organocatalysts (A1-A6) were evaluated to showcase the optimal catalyst for this transformation. Moreover, the arylidene benzofuranone intermediates were further employed for the synthesis of interesting aurone-derived azadiene substrates through its reaction with TsNH2. Notably, the using of organocatalyst A6 resulted in the delivery of the product with the best yield (94% isolated yield). Under the optimized conditions, different aromatic and heterocyclic containing aldehydes were effectively tolerated to generate the corresponding arylidene benzofuranone intermediates, which further converted to the azadiene products in high to excellent yield. The claimed structures were confirmed by the spectral analysis.

Relations- One Way out of the Replication Crisis

Importance: Reproducibility, or the long-term validity of findings, is a precondition for the credibility of scientific results in several scientific disciplines. If different experts were asked how much published work in their field is reproducible, more than fifty percent of researchers in chemistry, physics, biology, medicine, and others said we have a replication crisis. This means that the scientific credibility of many disciplines in the eyes of the public is at risk, with significant consequences for the reputation and funding of science. Challenges: It is therefore necessary to tackle the causes of the replication crisis, such as Questionable Research Practices (QRP), publication pressure, and weaknesses in the planning and statistical analysis of studies. The latter is the subject of this article, in which it is emphasised that many hypotheses do not correspond in their complexity to the phenomena studied, either in terms of the possible influencing variables or in terms of the measures of association. Measures: It is suggested that the hypotheses should be more differentiated, take greater account of the presumed effect structure, and the variety of logical relationships in the empirical phenomena. This article uses several examples to show the extent to which more precise hypotheses have an impact on the accuracy of statistically reliable results. One computer program that can be used in the next time for these purposes is Relation Analysis (RELAN), which allows logical analyses, statistical tests, explorations and simulations of relations between variables. Conclusion: In future, it will be necessary to adapt scientific hypotheses in the biological, human and social sciences more closely to the complexity and the structure of empirical phenomena.

Advancements in Pharmaceutical Science: Synthesis and Application of Molecular Cages Integrating N-Heterocyclic Carbenes for Enhanced Stability and Functionality

The synthesis of molecular cages to encapsulate chemical entities, such as metal ions, anions, or small molecules, has emerged as a significant area of research in supramolecular chemistry. This article explores the design and construction of various macrocyclic ligands, particularly crown ethers, cryptands, and multi-branched macrocycles, highlighting their unique structural properties and coordination chemistry with transition metals and alkali ions. We delve into the role of N-Heterocyclic Carbenes (NHCs) in enhancing the stability and functionality of these macrocyclic systems. The integration of NHCs into macrocyclic architectures presents opportunities for novel applications in catalysis, photoluminescence, and biomedical fields. By examining the advancements in macrocycle-NHC chemistry, this article underscores the potential of these systems in developing innovative materials with tailored properties for diverse applications.

Glycosyl esters as stable donors in chemical glycosylation

Efficient glycosylation methods are continuously being developed to obtain homogeneously pure carbohydrates to study their biological roles. The development of effective and stereoselective glycosylations using novel anomeric leaving groups constitutes an active area of research in synthetic carbohydrate chemistry. Although various glycosyl donors have been developed over the decades, anomeric esters as donors in glycosylation have received significant attention in recent times due to their convenience of preparation, shelf stability, catalytic activation, mild conditions, and high glycosylation efficiency. We focus in this mini‐review on covering the glycosyl ester‐containing donors utilized in chemical glycosylation methods, including simple esters, alkenyl, alkynyl‐containing esters, carbonate esters, chelation‐assisted glycosyl esters, allenyl and ynenoate glycosyl esters in glycoside synthesis.

USING AI TO DEVELOP STUDENTS’ SCIENTIFIC SKILLS IN CHEMISTRY: FROM RESEARCH TO INNOVATION

The article discusses the use of artificial intelligence (AI) to develop students' scientific skills in chemistry, its role in promoting innovative research and technology. AI opens up new opportunities for students of chemical faculties, allowing them to effectively analyze large amounts of data, simulate chemical reactions and predict experimental results. The use of AI in research activities helps students develop critical thinking, research skills and promotes the creation of new chemical compounds and materials. The article also discusses prospects of AI in the development of new drugs, environmentally friendly technologies and sustainable chemical processes. Despite the many advantages, the introduction of AI into chemical education and research is associated with a number of challenges, including the need to train specialists. In conclusion, the importance of further introducing AI into chemical education is emphasized in order to improve the quality of scientific research and stimulate an innovative approach in chemistry

Research progress and application status of organoid in breast cancer subtypes

Breast cancer (BC) is a prevalent malignant tumor that poses a significant health risk to women. The complexity of basic BC research and clinical treatment is influenced by multiple factors, including age, fertility, hormone metabolism, molecular subtypes, and tumor grading and staging. Traditional in vitro models often fall short of meeting modern research demands, whereas organoids—an emerging 3D primary culture technology—offer a unique platform that better replicates the tumor microenvironment (TME). Coupled with advances in high-throughput sequencing technologies, organoids have become increasingly valuable in biological and chemical research. Currently, the most widely used organoid model in BC research is the patient-derived organoid (PDO) model, which is generated directly from original tumor tissues. This paper aims to summarize the current status of PDO models across various BC subtypes, highlighting recent advances in genetics, mechanisms of drug resistance, identification of new therapeutic targets, and approaches to personalized treatment. In conclusion, the development of clinical precision medicine urgently requires in vitro models capable of accurately simulating the unique molecular subtypes of patients. This review will examine the challenges and future prospects of organoid models in BC research, offering new insights into the fundamental mechanisms of BC and paving the way for more effective personalized therapies.

γ-Secretase Cleaves Bifunctional Fatty Acid-Conjugated Small Molecules with Amide Bonds in Mammalian Cells.

Connecting two small molecules, such as ligands, fluorophores, or lipids, together via a linker with amide bonds is a widely used strategy to generate synthetic bifunctional molecules for various biological and biomedical applications. Such bifunctional molecules have been used in live-cell experiments under the assumption that they should be stable in cells. However, we recently found that a membrane-targeting bifunctional molecule, composed of a lipopeptide and the small-molecule ligand trimethoprim, referred to as mgcTMP, underwent amide-bond cleavage in mammalian cells. In this work, we first identified γ-secretase as the major protease degrading mgcTMP in cells. We next investigated the intracellular degradation of several different types of amide-linked bifunctional compounds and found that N-terminally fatty acid-conjugated small molecules are susceptible to γ-secretase-mediated amide-bond cleavage. In contrast, amide-linked bifunctional molecules composed of two small molecules, such as ligands and hydrophobic groups, which lack lipid modification, did not undergo intracellular degradation. These findings highlight a previously overlooked consideration for the development and application of lipid-based bifunctional molecules in chemical biology research.

From text to insight: large language models for chemical data extraction.

The vast majority of chemical knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial automation for data extraction for specific use cases. The advent of large language models (LLMs) represents a significant shift, potentially enabling non-experts to extract structured, actionable data from unstructured text efficiently. While applying LLMs to chemical and materials science data extraction presents unique challenges, domain knowledge offers opportunities to guide and validate LLM outputs. This tutorial review provides a comprehensive overview of LLM-based structured data extraction in chemistry, synthesizing current knowledge and outlining future directions. We address the lack of standardized guidelines and present frameworks for leveraging the synergy between LLMs and chemical expertise. This work serves as a foundational resource for researchers aiming to harness LLMs for data-driven chemical research. The insights presented here could significantly enhance how researchers across chemical disciplines access and utilize scientific information, potentially accelerating the development of novel compounds and materials for critical societal needs.