Chemistry in Times of Artificial Intelligence

Chemists have to a large extent gained their knowledge by doing experiments and thus gather data. By putting various data together and then analyzing them, chemists have fostered their understanding of chemistry. Since the 1960s, computer methods have been developed to perform this process from data to information to knowledge. Simultaneously, methods were developed for assisting chemists in solving their fundamental questions such as the prediction of chemical, physical, or biological properties, the design of organic syntheses, and the elucidation of the structure of molecules. This eventually led to a discipline of its own: chemoinformatics. Chemoinformatics has found important applications in the fields of drug discovery, analytical chemistry, organic chemistry, agrichemical research, food science, regulatory science, material science, and process control. From its inception, chemoinformatics has utilized methods from artificial intelligence, an approach that has recently gained more momentum.     

Living Messages from Chemistry Icons: Legacies with Contemporary Relevance

Beyond individual scientific virtuosity and creativity that leading figures in chemistry have displayed, they have sometimes conveyed wider messages of significance beyond their own professional specialization. They include insights into broader aspects of science, society or the ways of the world. On the other hand, the words, attitudes and actions of eminent chemists from former times have not always presented good models for others to follow, whether judged by their own contemporary or our present standards. Both positive and negative lessons may convey to us something about humanity in general or the nature of our current predicaments and challenges. In an era when science is more necessary than ever to help meet oncoming global challenges, yet the principles and results of science are irrationally questioned, it is particularly relevant to re‐connect with the broad insights and messages that can be derived from examining the thoughts and deeds of chemistry icons from the past.     

A Nontraditional Laboratory Proposal: Investigating the Kinetics of a Chemical Reaction

This paper presents an unstructured laboratory in which students determine the rate law for a reaction. We have selected for this investigation the reaction between magnesium and hydrochloric acid. The general goal of the proposal is threefold: (1) to increase students interest in science during first-year chemistry; (2) to create a more active learning environment where students can learn and do science as scientists; and (3) to develop and promote critical thinking, analytical reasoning, collaboration, and interactive discussion based on a scientific problem. This laboratory has proven to be effective because the students, with some guidance from the instructor, were able to (1) state one or more hypotheses related to the problem under study (chemical kinetics); (2) design procedures and strategies to answer specific questions; and (3) establish methods to manipulate and interpret the data. Finally, the students were required to write a report. In this way, the laboratory promotes creativity and improves students critical thinking in an introductory course of university general chemistry.     

Polymeric Antitumor Agents on a Molecular and on a Cellular Level?

“Chemistry has become a mature science, with all the advantages and handicaps of maturity: harvest is abundant, but many people think future and adventure are to be found elsewhere”^[1a]. This holds true—in 1981, the year of Hermann Staudinger's 100th birthday—for macromolecular chemistry, too. Where can the polymer chemists seek adventures? Unsolved problems in neighboring fields like medicine and molecular biology attract his zeal. Cancer chemotherapy is such a field. Can the polymer chemist help to solve its problems? Polymers may be pharmacologically active as such. If used as carriers, they may, due to their intrinsic properties, influence body distribution, excretion or cell uptake of the pharmaca they carry. Hence, there is a chance for new ways in therapy, including affinity chemotherapy using synthetic macromolecules. Our own body has a perfect biological system for affinity therapy: immune response to infection selectively attacks foreign cells, It is fascinating to observe what the immune system does to a tumor cell which could not escape immune surveillance (cf. Fig. 14). Can these specific cell-cell interactions be mimicked? What do we have to learn for an experimental approach to this adventure? Stable membrane and cell models can be synthesized, a first step towards this goal. Macromolecular chemistry is far from being able to offer satisfying solutions for a specific tumor therapy; striving for it, polymer chemists can learn lots of things. In order to do so, they will have to enter neighboring fields and they will have to be willing and able to cooperate.     

The Invention of Theoretische Chemie : Forms and Uses of German Chemistry Textbooks, 1775–1820

Abstract

The most significant outcome of an analysis of the German chemistry textbooks published between 1775 and 1820 was the emergence of the concept of theoretische Chemie. Rather than providing fundamental explanations for substances, affinities or reactions, theoretische Chemie ordered the available chemical facts. For the large group of university-based chemists who lacked technical facilities for experimental research, building these kinds of ordered systems proved an adequate way of contributing to chemistry. Furthermore, theoretische Chemie was important for the self-image of chemistry as a science by offering a framework for integrating new knowledge from various nonscientific fields of practice. In spite of this function, textbook authors discussed their very different ordered systems merely in terms of didactic appropriateness rather than in terms of scientific justification or correspondence with nature.     

Emergence in Chemistry: Chemistry as the Embodiment of Emergence

The main aim of the paper is to reinforce the notion that emergence is a basic characteristic of the molecular sciences in general and chemistry in particular. Although this point is well accepted, even in the primary reference on emergence, the keyword emergence is rarely utilized by chemists and molecular biologists and chemistry textbooks for undergraduates. The possible reasons for this situation are discussed. The paper first re-introduces the concept of emergence based on very simple geometrical forms; and considers some simple chemical examples among low and high molecular weight compounds. On the basis of these chemical examples, a few interesting philosophical issues inherent to the field of emergence are discussed – again making the point that such examples, given their clarity and simplicity, permit one to better understand the complex philosophical issues. Thus, the question of predictability is discussed, namely whether and to what extent can emergent properties be predicted on the basis of the component’s properties; or the question of the explicability (a top down process). The relation between reductionism and emergentism is also discussed as well as the notion of downward causality and double causality (macrodeterminism); namely the question whether and to what extent the emergent properties of the higher hierarchic level affect the properties of the lower level components. Finally, the question is analyzed, whether life can be considered as an emergent property. More generally, the final point is made, that the re-introduction of the notion of emergence in chemistry, and in particular in the teaching, may bring about a deeper understanding of the meaning of chemical complexity and may bring chemistry closer to the humanistic areas of philosophy and epistemology. This revised version was published online in July 2006 with corrections to the Cover Date.     

The Teaching/Learning Process in Analytical Chemistry

Before teaching a course, the instructor must identify what she or he intends for the students to learn. For most analytical chemistry instructors, this usually involves an assessment of what methods and techniques to include and at what depth to cover them. There are many other skills, though, that will be important to students for their future success. Most college classes in analytical chemistry are taught in a lecture format. Techniques that can be used to improve the learning that can occur during a lecture are described. An alternative to lecturing is the use of cooperative learning. Cooperative learning offers the potential to develop skills such as teamwork, communication, and problem-solving that are more difficult to impart in a lecture format. The laboratory component of analytical chemistry courses is often an underutilized learning resource. More often than not, the lab is used to demonstrate fundamental wet and instrumental analysis techniques and develop rudimentary laboratory skills. The analytical lab should also be used to develop meaningful problem-solving skills and to demonstrate and have students participate in the entire analytical process. Ways of enhancing the analytical laboratory to include more global skills that are important to career success are described.Received January 12, 2003; accepted March 7, 2003 Published online July 16, 2003     

The Biochemical Reactions of Organometallics with Enzymes and Proteins

Most specialists doing organometallic chemistry have little understanding of what modern biochemistry is. On the other hand, most biochemists believe that organometallic chemistry stands much apart from the problems they study. But the real distance, if any, between these magnificent pyramids of modern science is progressively decreasing. Their interaction has given birth to a new branch of science, organometallic biochemistry, the general aspects of which are discussed here.     

Opportunities and protocol for the teaching of materials science in africa

During the last 30 years the world's materials around us have changed from ‐ steel, concrete and wood to new materials with their own chemistry, and they constitute a large part of the manufacturing industry and our imports. Emphasis is on polymers, advanced materials for the electronic and medical industries and novel ceramics, amongst others. Yet, a school leaver often doesn't know much, or anything, about steel, concrete or what a plastic bag is and how to recycle it. There is an urgent need to address the improved teaching of materials science, especially in Africa [1, 2]. The NSF in America funded the Materials Science Department at Iowa University to create standards eight, nine and ten, i.e. senior high school, material science course. Sixteen teachers were used to write the notes and teachers manual. We are looking at the use of this course to promote materials science as a third matric science subject. We are of the opinion that this course could do much to improve science teaching in Africa and make the matric student much more conscious of materials around him/her. This presentation (which in some form had been presented at various conferences) mentions what this course in materials science and macromolecules covers and, further what we can do and achieve with multimedia education at university level [3, 4, 5, 6, 7, 8]. It will be based on the courses: MATTER, from Chapman‐Hall, developed by Liverpool University and Macrogalleria, developed by Prof. Lon Mathias at University of Southern Mississippi.     

Objects of inquiry in classical chemistry: material substances

I argue in the paper that classical chemistry is a science predominantly concerned with material substances, both useful materials and pure chemical substances restricted to scientific laboratory studies. The central epistemological and methodological status of material substances corresponds with the material productivity of classical chemistry and its way of producing experimental traces. I further argue that chemist??s ??pure substances?? have a history, conceptually and materially, and I follow their conceptual history from the Paracelsian concept of purity to the modern concept of pure stoichiometric compounds. The history of the concept of ??pure substances?? shows that modern chemists?? concept of purity abstracted from usefulness rather than being opposed to it. Thus modern chemists?? interest in pure chemical substances does not presuppose a concept of pure science.     

Academic librarians at play in the field of cheminformatics: building the case for chemistry research data management

There are compelling needs from a variety of camps for more chemistry data to be available. While there are funder and government mandates for depositing research data in the United States and Europe, this does not mean it will be done well or expediently. Chemists themselves do not appear overly engaged at this stage and chemistry librarians who work directly with chemists and their local information environments are interested in helping with this challenge. Our unique understanding of organizing data and information enables us to contribute to building necessary infrastructure and establishing standards and best practices across the full research data cycle. As not many support structures focused on chemistry currently exist, we are initiating explorations through a few case studies and focused pilot projects presented here, with an aim of identifying opportunities for increased collaboration among chemists, chemistry librarians, cheminformaticians and other chemistry professionals.     

Historical Roots of the "Mad Scientist": Chemists in Nineteenth-century Literature

Abstract

This paper traces the historical roots of the "mad scientist," a concept that has powerfully shaped the public image of science up to today, by investigating the representations of chemists in nineteenth-century Western literature. I argue that the creation of this literary figure was the strongest of four critical literary responses to the emergence of modern science in general and of chemistry in particular. The role of chemistry in this story is crucial because early nineteenth-century chemistry both exemplified modern experimental laboratory research and induced, due to its rapid growth, a ramification and fragmentation of knowledge that undermined former ideals of the unity of knowledge under the umbrella of metaphysics and religion. Because most writers considered contemporary chemistry an offspring of "wrong alchemy," all four responses drew on the medieval literary figure of the "mad alchemist" to portray chemists. Whereas early writers considered the quest for scientific knowledge to be altogether in vain, later writers pointed out the narrow-minded goals and views specifically of chemistry. A third response moved that criticism to a metaphysical and religious level, by relating chemistry to materialism, nihilism, atheism and hubris. The fourth response, the "mad scientist," elaborated on the hubris theme by attaching moral perversion to the "mad alchemist."     

Would Introductory Chemistry Courses Work Better with a New Philosophical Basis?

One of the main functions that introductory chemistry courses havefulfilled during the past century has been to provide evidence for the generalvalidity of 'the atomic hypothesis.' A second function has been to demonstratethat an analytical approach has wide applicability in rationalizing many kindsof phenomena. Following R.G. Collingwood, these two functions can be recognizedas related to a philosophical 'cosmology' (worldview, weltanshauung) thatbecame dominant in the late Renaissance. Recent developments in many areasof science, and in chemistry, have emphasized the central importance of understandingsynthetic, developmental, and evolutionary aspects of nature. This paperargues that these scientific developments, and changes in other aspects of culture,amount to a widespread shift to an alternative cosmology, a quite different generalworldview. To the extent that this is the case, introductory chemistry coursesought to be changed in fundamental ways. Rather than having a main focus onanalysis to microscopic components, introductory chemistry instruction shouldemphasize current scientific understanding of the (synthetic) evolutionary originsof the present world. This altered approach would provide good preparation forfuture professional work, while also making better contact with the perceivedconcerns of students.     

Scandinavian contributions to analytical chemistry

A review is given of the major contributions of Scandinavian chemists to analytical chemistry, illustrating the great importance of their work in development of the science as it is known today.     

分析化学发展中的几个问题

分析化学在迅速发展中出现了一些令人关注的问题。它们是：如何确定现代分析化学煌范围，如何给字以明确的定义；对分析化学煌前沿的预测；当今分析化学在化学中的地位；对分析介的批评意见的反思；分析化学应注意克有孤自身的弱点；如何培养高水平的分析化学专业人材等。本文就这些问题介绍国内外同行的一些看法发表本人的浅见。     

The atomic number revolution in chemistry: a Kuhnian analysis

This paper argues that the field of chemistry underwent a significant change of theory in the early twentieth century, when atomic number replaced atomic weight as the principle for ordering and identifying the chemical elements. It is a classic case of a Kuhnian revolution. In the process of addressing anomalies, chemists who were trained to see elements as defined by their atomic weight discovered that their theoretical assumptions were impediments to understanding the chemical world. The only way to normalize the anomalies was to introduce new concepts, and a new conceptual understanding of what it is to be an element. In the process of making these changes, a new scientific lexicon emerged, one that took atomic number to be the defining feature of a chemical element.     

The changing role of the historiography of chemistry in continental Europe since 1800

Throughout the nineteenth century and the first half of the twentieth century, many distinguished chemists attributed an important, at times crucial, role to the historical narrative. When the first professional histories were published during the nineteenth century, their role was intimately interwoven with the identity of chemistry, a science that in spite (or because) of its rapidly growing importance in the industrialisation of Europe, did not have the same reputation as either the exact sciences or the medical-biological disciplines. With the works by Berthelot, Lippmann, and Mieli, the history of chemistry focused on its rich and varied documentary sources. The histories of chemistry produced during this period set the ground for a variety of approaches that reflect, to a large degree, the main currents of old and recent history of science. Moreover, historians of chemistry, both continental and Anglo-American, had a prominent role in establishing the history of science as an independent discipline.     

生物化学中酶促"不可逆"反应及其相关问题辨析

在生物化学教学和研究中,一些酶促反应被归类为不可逆反应。然而,此处的"不可逆"与物理化学中的"不可逆"有所不同,这一表述本身常导致学生的困惑。不仅如此,"不可逆"的实际含义及其衍生的观念可能进一步使学生产生很多对基本生化反应过程的严重误解。本文以物理化学所定义的"不可逆"为准,重新讨论生物化学中所指"不可逆"的准确含义,并举例讨论了包括"速控步""限速酶""高能磷酸键"在内的若干因生物化学中"不可逆"的不准确定义造成的认知误区。     

New Studies on Humphry Davy: Introduction

This special issue of Ambix brings together eight new studies on Humphry Davy together with an appreciation of the life and work of David Knight, much of whose scholarship was devoted to understanding Davy. Taken together they provide a much richer and more nuanced account of aspects of Davy’s life, showing how he and his work fitted into the very complex and difficult social, cultural and political contexts of the opening decades of the nineteenth century. Taking as our starting point Thomas Carlyle’s 1829 critique of modern science, in this introduction we weld together the themes that emerge from these papers, many of which ground their results in the project to publish Davy’s Letters. This project has provided evidence that helps us critique the disciplinary boundaries that led to Davy becoming seen mostly as a chemist, while his friend Samuel Taylor Coleridge has generally been categorised as a poet. Such boundaries are now breaking down fruitfully as these essays all illustrate in their different ways. A consequence of the new understandings being produced, is that we need to consider anew what constitutes chemistry and chemists, how reputations and commemorations are constructed, the role of audiences (especially women) in developing knowledge and the use of language and literature, which, among other things, are key elements linking chemistry with other parts of society and culture. Davy provides an excellent location by which to address the historical issues involved, giving us an opportunity to balance carefully these and other components (such as human agency) in understanding how knowledge is constructed.