bluuebunny/crossref_metadata_2025 huggingface dataset:
Antimicrobial resistance gene lack in tick-borne pathogenic bacteria
Authors: Papp Márton , Tóth Adrienn Gréta , Valcz Gábor , Makrai László , Nagy Sára Ágnes , Farkas Róbert , Solymosi Norbert
Published: May 2023

Tick-borne infections, including those of bacterial origin, are significant public health issues. Antimicrobial resistance (AMR), which is one of the most pressing health challenges of our time, is driven by specific genetic determinants, primarily by the antimicrobial resistance genes (ARGs) of bacteria. In our work, we investigated the occurrence of ARGs in the genomes of tick-borne bacterial species that can cause human infections. For this purpose, we processed short/long reads of 1550 bacterial isolates of the genera Anaplasma (n = 20), Bartonella (n = 131), Borrelia (n = 311), Coxiella (n = 73), Ehrlichia (n = 13), Francisella (n = 959) and Rickettsia (n = 43) generated by second/third generation sequencing that have been freely accessible at the NCBI SRA repository. From Francisella tularensis, 98.9% of the samples contained the FTU-1 beta-lactamase gene. However, it is part of the F. tularensis representative genome as well. Furthermore, 16.3% of them contained additional ARGs. Only 2.2% of isolates from other genera (Bartonella: 2, Coxiella: 8, Ehrlichia: 1, Rickettsia: 2) contained any ARG. We found that the odds of ARG occurrence in Coxiella samples were significantly higher in isolates related to farm animals than from other sources. Our results describe a surprising lack of ARGs in these bacteria and suggest that Coxiella species in farm animal settings could play a role in the spread of AMR.
Early postoperative laboratory parameters are predictive of initial treatment failure in acute septic arthritis of the knee and shoulder joint
Authors: Straub Jennifer , Lingitz Marie-Therese , Apprich Sebastian , Staats Kevin , Windhager Reinhard , Böhler Christoph
Published: May 2023

Septic arthritis is an orthopedic emergency potentially causing irreversible joint damage. However, the predictive value of potential risk factors such as early postoperative laboratory parameters remains uncertain. We investigated risk factors for initial surgical treatment failure using data from 249 patients (194 knees, 55 shoulders) treated for acute septic arthritis between 2003 and 2018. Necessity for further surgical intervention was defined as primary outcome. Demographic data, medical history, initial and postoperative laboratory parameters, Charlson Comorbidity Index (CCI), and Kellgren and Lawrence classification were collected. Two scoring systems were developed as tools for failure risk estimation after initial surgical irrigation and debridement. More than one intervention was necessary in 26.1% of cases. Treatment failure occurred significantly more often for those with longer symptom duration (p = 0.003), higher CCI grades (p = 0.027), Kellgren-Lawrence grade IV (p = 0.013), shoulder arthroscopy (p = 0.010), positive bacterial culture results (p < 0.001), slow postoperative CRP decline until day three (p = 0.032) and five (p = 0.015), reduced WBC-decline (p = 0.008), and lower hemoglobin (p < 0.001). Scores for third and fifth postoperative day achieved AUCs of 0.80 and 0.85, respectively. This study identified risk factors for treatment failure in patients with septic arthritis, suggesting that early postoperative laboratory parameters can guide further treatment.
Biocontrol potential of native isolates of Beauveria bassiana against cotton leafworm Spodoptera litura (Fabricius)
Authors: Islam Shah Mohammad Naimul , Chowdhury Md. Zahid Hasan , Mim Mahjabin Ferdaous , Momtaz Milia Bente , Islam Tofazzal
Published: May 2023

The entomopathogenic fungus (EPF),Beauveria bassiana, is reported as the most potent biological control agent against a wide range of insect families. This study aimed to isolate and characterize the nativeB. bassianafrom various soil habitats in Bangladesh and to evaluate the bio-efficacy of these isolates against an important vegetable insect pest,Spodoptera litura. Seven isolates from Bangladeshi soils were characterized asB. bassianausing genomic analysis. Among the isolates, TGS2.3 showed the highest mortality rate (82%) against the 2nd instar larvae ofS. lituraat 7 days after treatment (DAT). This isolate was further bioassayed against different stages ofS. lituraand found that TGS2.3 induced 81, 57, 94, 84, 75, 65, and 57% overall mortality at egg, neonatal 1st, 2nd, 3rd, 4th, and 5th instar larvae, respectively, over 7 DAT. Interestingly, treatment withB. bassianaisolate TGS2.3 resulted in pupal and adult deformities as well as decreased adult emergence ofS. litura. Taken together, our results suggest that a native isolate ofB. bassianaTGS2.3 is a potential biocontrol agent against the destructive insect pestS. litura. However, further studies are needed to evaluate the bio-efficacy of this promising native isolatein plantaand field conditions.
Clinical significance of distal femur morphology in a healthy Mongolian youth population
Authors: Wang Boyang , Zhang Guoliang , Pu Ribusurong , Li Qiang , Wang Yuewen
Published: May 2023

Morphological parameters of knee joint are related to race and nationality. At present, knee prosthesis come from white male population. Due to the mismatch between the prosthesis and other ethnic groups, the prosthesis life span is reduced, revision surgery and the patients’ economic burden are increased. There is no data of the Mongolian ethnic group. In order to treat patients more accurately, we measured the Mongolian data of the femoral condyle. A total of 122 knee joints were scanned in 61 volunteers (21 males and 40 females) with an average age of 23.259 ± 1.395 years. The Mimics software was used to reconstruct the 3D image and measure the data of each line. The data were analyzed by statistical methods such as t test, and P < 0.05 was taken as the significant. 122 normal femoral condyle data were obtained. The mean transverse diameter of femoral condyle is 76.472 ± 5.952 mm, medial condyle is 29.259 ± 11.461 mm, and the sagittal diameter of the medial condyle was 56.758 ± 4.163 mm. The transverse diameter of the lateral femoral condyle is 29.388 ± 3.157 mm, the sagittal diameter of the lateral condyle is 58.937 ± 3.527 mm and the femoral plane rate is 1.264 ± 0.072. (1) There was no statistical significance in the left and right knee joint data (P > 0.05). (2) The different genders data of femoral condyle were statistically significant (P < 0.05). (3) Compared with other nationalities and races, the data of femoral condyle are different. (4) There are differences between femoral surface ratio and mainstream prosthesis data.
The prevalence and determinant of overweight and obesity among residents aged 40–69 years in high-risk regions for upper gastrointestinal cancer in southeast China
Authors: Feng Xiang , Zhu Jinhua , Hua Zhaolai , Shi Qiuping , Zhou Jinyi , Luo Pengfei
Published: May 2023

Being overweight or obese is one of the public health concerns worldwide, and its prevalence is gradually increasing. Obesity has been proven to be associated with some cancers, including upper gastrointestinal cancer (UGC). However, studies on the prevalence of obesity among residents of areas at high risk of UGC in China are minimal. The aim of this study is to assess the prevalence of obesity and its influencing factors among people aged 40–69 years (high-risk population) in high-risk areas for UGC in Jiangsu Province, southeast China. This cross-sectional study involved 45,036 subjects aged 40–69 years identified in the Rural Early Diagnosis and Treatment of UGC Project database in Jiangsu Province from 2017 to 2021. Differences in prevalence across gender and age were assessed using the Chi-square test. Using a multinomial logistic regression model, we examined independent risk factors for overweight/obesity and their gender and age differences. The prevalence of overweight, obesity, and overweight/obesity varied based on the standards used: Chinese standard (42.1%, 11.9%, and 54.0%) and WHO standard (34.7%, 4.7%, and 39.4%), respectively. Being overweight was more common in men than women, while obesity was more common in women than men. Age of 50–59 years, married, household size of 7–9, drinking, soy products, pickled food, and hot food intake were positively associated with overweight/obesity. Females, 60–69 years, higher education level, household size of 4–6, annual family income of more than 60,000 CNY, smoking, and fresh fruit intake were negatively associated with overweight/obesity. Stratified analysis showed that the effects of age, education and meat, egg and dairy products on overweight/obesity were different across gender. The impact of fresh fruit and vegetables on overweight/obesity was also heterogeneous between the younger (40–59 years) and older (60–69 years) groups. In conclusion, the prevalence of overweight and obesity is high among adults aged 40–69 years from high-risk areas for UGC of Jiangsu Province, southeast China. Independent influencing factors of being overweight/obese included gender, age, marital status, education, household size, annual family income, smoking, drinking, fresh fruit, soy products, pickled food and hot food intake, and may vary by gender and age. Screening-based interventions should be considered to control obesity levels among screened participants. Besides, heterogeneity of influencing factors across subgroups could be focused on to improve intervention effectiveness.
ML-based sequential analysis to assist selection between VMP and RD for newly diagnosed multiple myeloma
Authors: Park Sung-Soo , Lee Jong Cheol , Byun Ja Min , Choi Gyucheol , Kim Kwan Hyun , Lim Sungwon , Dingli David , Jeon Young-Woo , Yahng Seung-Ah , Shin Seung-Hwan , Min Chang-Ki , Koo Jamin
Published: May 2023

Optimal first-line treatment that enables deeper and longer remission is crucially important for newly diagnosed multiple myeloma (NDMM). In this study, we developed the machine learning (ML) models predicting overall survival (OS) or response of the transplant-ineligible NDMM patients when treated by one of the two regimens—bortezomib plus melphalan plus prednisone (VMP) or lenalidomide plus dexamethasone (RD). Demographic and clinical characteristics obtained during diagnosis were used to train the ML models, which enabled treatment-specific risk stratification. Survival was superior when the patients were treated with the regimen to which they were low risk. The largest difference in OS was observed in the VMP-low risk & RD-high risk group, who recorded a hazard ratio of 0.15 (95% CI: 0.04–0.55) when treated with VMP vs. RD regimen. Retrospective analysis showed that the use of the ML models might have helped to improve the survival and/or response of up to 202 (39%) patients among the entire cohort (N = 514). In this manner, we believe that the ML models trained on clinical data available at diagnosis can assist the individualized selection of optimal first-line treatment for transplant-ineligible NDMM patients.
An artificial intelligence based app for skin cancer detection evaluated in a population based setting
Authors: Smak Gregoor Anna M. , Sangers Tobias E. , Bakker Lytske J. , Hollestein Loes , Uyl – de Groot Carin A. , Nijsten Tamar , Wakkee Marlies
Published: May 2023

Artificial intelligence (AI) based algorithms for classification of suspicious skin lesions have been implemented in mobile phone apps (mHealth), but their effect on healthcare systems is undocumented. In 2019, a large Dutch health insurance company offered 2.2 million adults free access to an mHealth app for skin cancer detection. To study the impact on dermatological healthcare consumption, we conducted a retrospective population-based pragmatic study. We matched 18,960 mHealth-users who completed at least one successful assessment with the app to 56,880 controls who did not use the app and calculated odds ratios (OR) to compare dermatological claims between both groups in the first year after granting free access. A short-term cost-effectiveness analysis was performed to determine the cost per additional detected (pre)malignancy. Here we report that mHealth-users had more claims for (pre)malignant skin lesions than controls (6.0% vs 4.6%, OR 1.3 (95% CI 1.2–1.4)) and also a more than threefold higher risk of claims for benign skin tumors and nevi (5.9% vs 1.7%, OR 3.7 (95% CI 3.4–4.1)). The costs of detecting one additional (pre)malignant skin lesion with the app compared to the current standard of care were €2567. Based on these results, AI in mHealth appears to have a positive impact on detecting more cutaneous (pre)malignancies, but this should be balanced against the for now stronger increase in care consumption for benign skin tumors and nevi.
A Low-power wearable acoustic device for accurate invasive arterial pressure monitoring
Authors: Kim Maruchi , Wang Anran , Jelacic Srdjan , Bowdle Andrew , Gollakota Shyamnath , Michaelsen Kelly
Published: May 2023

Background

Millions of catheters for invasive arterial pressure monitoring are placed annually in intensive care units, emergency rooms, and operating rooms to guide medical treatment decision-making. Accurate assessment of arterial blood pressure requires an IV pole-attached pressure transducer placed at the same height as a reference point on the patient’s body, typically, the heart. Every time a patient moves, or the bed is adjusted, a nurse or physician must adjust the height of the pressure transducer. There are no alarms to indicate a discrepancy between the patient and transducer height, leading to inaccurate blood pressure measurements.

Methods

We present a low-power wireless wearable tracking device that uses inaudible acoustic signals emitted from a speaker array to automatically compute height changes and correct the mean arterial blood pressure. Performance of this device was tested in 26 patients with arterial lines in place.

Results

Our system calculates the mean arterial pressure with a bias of 0.19, inter-class correlation coefficients of 0.959 and a median difference of 1.6 mmHg when compared to clinical invasive arterial measurements.

Conclusions

Given the increased workload demands on nurses and physicians, our proof-of concept technology may improve accuracy of pressure measurements and reduce the task burden for medical staff by automating a task that previously required manual manipulation and close patient surveillance.
Synthesis in Medicinal Chemistry
Authors: Jordan Allan M. , Young Robert J.
Published: May 2023

The discovery, optimisation and manufacture of medicines are processes underpinned by synthesis on scales from milligrams to tonnes; synthetic or semi-synthetic pharmaceuticals remain the cornerstones of modern medicines, as chemists innovate to deliver molecules to address contemporary challenges. This chapter reviews the crucial impact of synthesis, considering changing practices, contemporary developments in technology and methodology, and provides a view to how things may develop in future.
Machine Learning in Drug Design
Authors: Engkvist Ola , Mervin Lewis H. , Chen Hongming , Ran Ting
Published: May 2023

Machine learning and especially deep learning has been remarkably successful in many different areas in recent years. The application of machine learning and artificial intelligence techniques in drug discovery has increased dramatically as well. This chapter summarizes some of the most noticeable examples of the applications. Among them, the prediction of ADMET properties for drug-like molecules, de novo molecule design based on generative modeling, synthesis prediction and compound retrosynthesis planning, and in silico bioactivity predictions are the focus of this chapter. For the reader to grasp the current trend of machine learning application in drug discovery, a large number of published examples are included for in-depth analysis and discussion. Remaining challenges and potential future developments are also highlighted.
Drug Metabolism
Authors: Lock R. , Webborn P. J. H. , Vose C. W. , Ings R. M. J.
Published: May 2023

It is almost impossible to design a bioavailable, long half-life and safe drug without a good understanding of both the principles of, and specific risks associated with, drug metabolism. Designing potent compounds with limited metabolic liabilities has proven to be one of the key challenges of drug discovery. The reasons for this, and some potential solutions, are explored in this chapter. The issues described also include the propensity for rapid metabolism, the risks associated with reactive metabolites and the origins of metabolically derived drug–drug interactions. The factors influencing the metabolism of drugs, the challenges of adopting prodrug strategies and exploiting active metabolites are also discussed, as are the complexities of metabolism–transport interplay. The chapter aims to provide a good understanding of drug metabolism and its relevance and value in support of drug research and development.
Animal Models: Practical Use and Considerations
Authors: Lione L. A. , Lanigan M. , Fisher A.
Published: May 2023

This chapter discusses the use of animal models in the preclinical drug discovery and development process. The different types of animal model studies ranging from: in vivo pharmacokinetic, pharmacodynamic, disease/mechanism and toxicology studies are discussed. Depending upon the type of study being conducted the optimal species and animal model must be decided. The validity of these models in terms of how they replicate the clinical signs (Face), onset of the disease (Construct) and can predict effective treatments (Predictive) is key in selecting the correct animal model. Important considerations such as conforming to ethical and legal requirements, deciding on a studies objective(s) and selecting the endpoint(s) to be measured must be considered before the research is undertaken. During the animal model study, consideration of the route of administration and drug formulation are key in maximizing bioavailability. Accurate statistical analysis and scientific reporting are essential in ensuring animal studies conform to the 3Rs of replacement, reduction and refinement. This chapter also covers the benefits and limitations of using animal models in preclinical drug development, where animal research is heading, and the importance bidirectional research plays in it.
Discovery Toxicology in Lead Optimization
Authors: Fontana Stefano , Braggio Simone , Corsi Mauro , Riley Rob , Strock Chris , Bradley Jenifer , Virginio Caterina , Walker Paul
Published: May 2023

Toxicity remains a leading cause of attrition at all stages of the drug development process. The majority of safety-related attrition occurs preclinically, suggesting that approaches to identify “predictable” preclinical safety liabilities earlier in the drug development process should lead to the design and/or selection of better drug candidates that have increased probabilities of becoming marketed drugs. In this chapter, we discuss how the application of discovery toxicology tools, both new molecular technologies as well as more established approaches such as standard repeat-dose rodent toxicology studies, together with early estimation or simulation of human exposure can identify predictable safety risks earlier in the testing paradigm. The earlier identification and characterization of dose-limiting toxicities will provide chemists and toxicologists with the opportunity to determine structure–toxicity relationships and minimize or circumvent adverse safety liabilities.
Toxicology and Drug Development
Authors: Bebenek Ilona , McMaster Owen
Published: May 2023

Drug development is a lengthy, multi-step process designed to characterize the safety and efficacy of drug candidates before being approved for marketing. Progression through the range of clinical trials and ultimately to product approval depends on a series of risk vs. benefit analyses. Risk is addressed, in part, through non-clinical safety assessment. Of particular importance are studies of safety pharmacology, general toxicology, genetic toxicology, carcinogenicity, and developmental and reproductive toxicology. While regulatory guidance documents and guidelines are available to provide recommendations related to non-clinical drug development, decision making must always be based on the best available science. This chapter covers the various types of non-clinical evaluations focusing on the overall goal of the studies, sources of regulatory recommendations, timing of submission, and utility of the data. Additional details are provided to familiarize the reader with various aspects of regulatory decision making.
The Medicinal Chemistry and Process Chemistry Interface
Authors: Goundry William R. F. , Parker Jeremy S.
Published: May 2023

The interaction between Medicinal Chemistry and Process Chemistry is key to the success of drug projects. This chapter highlights differences between the two disciplines, discusses what needs to be considered prior to scale-up, and includes how to spot early warning signs. Collaboration opportunities at the interface of the disciplines are highlighted including: information sharing, sustainability, process safety and route design. The importance of process design to support scale-up is illustrated with case studies including: flow chemistry, high throughput experimentation, biocatalysis, photocatalysis and crystallisation. The interaction is put in the context of new emerging 21st century challenges and how medicinal chemists and process chemists can successfully tackle these together.
SMN2 Splicing Modification by Small Molecules – A Blueprint to Tackle the Underlying Genetic Cause of Many Underserved Diseases
Authors: Ratni Hasane , Ebeling Martin , Scalco Renata S. , Mueller Lutz , Stephan Alexander
Published: May 2023

RNA as a drug target offers a wealth of opportunities to therapeutically modulate numerous cellular processes, including those linked to the so-called “undruggable” protein targets. Of particular interest is the modulation of the natural process of pre-mRNA splicing, to control the formation of the corresponding protein products. A successful example of this approach, which will be reviewed here, is the modulation of the SMN2 alternative splicing for the treatment of spinal muscular atrophy (SMA).
The Discovery of Checkpoint Kinase 1 Inhibitors: From Fragments to Clinical Candidate
Authors: Collins Ian
Published: May 2023

Selective inhibitors of the DNA damage response Checkpoint Kinase 1 (CHK1) for the treatment of cancer were discovered by a fragment-based approach. Structure-based optimisation with iterative protein crystallography gave well-characterised chemical tool inhibitors, which enabled a better understanding of the biology of CHK1 inhibition and validated new potential clinical contexts. Multi-parameter optimisation identified the candidate drug SRA737, taken forward to clinical development in combinations with chemotherapy and as a single agent. The project involved close partnerships between academic discovery laboratories and biotechnology companies, drawing on national collaborative networks, charitable grants and venture capital funding to progress the joint drug discovery objectives.
Genes and Genomes
Authors: Rhind Nicholas
Published: May 2023

The fundamental biological role of DNA is to store genetic information. To perform that role, DNA is organized into genes, the basic units of inheritance, and genes are organized into genomes. In the last 75 years, we have solved the structure of DNA, discovered its role in the function of genes and sequenced the human genome. This chapter documents those breakthroughs and how they, and many other seminal discoveries, have elucidated the function of genes and genomes in the function of cells, the development of organisms and the evolution of species. Our knowledge of the mechanisms by which genomes are expressed, repaired, replicated, and packaged has vastly improved, with detailed biochemical understanding and many atomic-resolution structures of the protein machines that effect DNA metabolism. We now face the challenge of understanding how these myriad machines interact and are inter-regulated in the complex environment of the nucleus. For example, although we have a good idea how one promoter works, we only understand in the most general terms how thousands of promoters are regulated precisely both temporally and spatially, as organisms develop. Advances in realistic mechanistic explanations of the emergent properties of genomes in living cells will occupy the field for decades to come.
RNA Transcription, Processing, Modification and Translation
Authors: Braun Joerg E.
Published: May 2023

RNA is the most versatile macromolecule in nature. The linear sequence of an RNA can encode large amounts of complex information that is subsequently transformed into functional proteins. However, many RNA sequences also contain sufficient information to fold themselves into specific shapes with distinct chemical properties. Thus, RNA is unique amongst biopolymers in that it encodes genetic information, provides structural scaffolding, recognizes and transports other molecules and carries out many forms of chemical catalysis in the cell. For example, messenger RNA (mRNA) encodes protein sequences, transfer RNA (tRNA) acts at the ribosome to decode mRNA information to specify particular amino acids, ribosomal RNAs (rRNA) assemble into the ribosome where protein is manufactured, small nuclear RNAs (snRNAs) tailor other RNAs to the proper size and microRNAs (miRNAs) are tiny sequences that bind and regulate the function of other RNAs. In this chapter, we focus on the lives of the many cellular RNA species – how they are generated, modified and regulated and play central roles in the flow of genetic information.
Synthesis of Nucleic Acids
Authors: Watts Jonathan K. , Gait Michael J.
Published: May 2023

Nucleic acid syntheses in a wide variety of forms are required for multiple research activities: in nucleic acids chemistry, chemical biology, molecular biology, synthetic biology, genetics and precision therapeutics. For the chemical synthesis of most oligonucleotides under 100 bases, the solid-phase phosphoramidite approach has dominated the field for four decades and will continue to do so. Hundreds of thousands of custom oligonucleotides are synthesized around the world every day using this approach. The non-templated enzymatic synthesis of oligonucleotides represents a new frontier in this field that may one day allow direct access to even longer oligonucleotides as well as reducing the consumption of organic solvents. The synthesis of longer constructs, including genes and genomes, can be carried out by assembly of oligonucleotides into larger fragments using polymerases and, where appropriate, ligases. Integration of the techniques described in this chapter – writing, copying and editing sequences and combining DNA from natural and synthetic sources – continues to underpin impressive innovation across multiple fields. The synthesis of nucleic acids is being pushed to new prominence, new challenges and new scales – including therapeutic oligonucleotides at tonne scale, whole synthetic genomes for biotechnology and antiviral mRNA vaccines requiring the urgent production of billions of doses.
Protein–DNA Interactions
Authors: Luisi Ben , Stollar Elliott
Published: May 2023

In this chapter we describe how our understanding of molecular recognition in protein–DNA interactions at the level of stereochemistry and structural detail has been advanced by X-ray crystallography and nuclear magnetic resonance (NMR) and now further accelerated by cryogenic electron microscopy (cryo-EM) and machine learning. These approaches are moving to address challenging questions, such as, “How is the activity of transcription factors regulated?” “How does the organisation of chromatin into modular domains occur and how might that help to define programs of transcription?” With the development of powerful tools such as electron tomography and mapping transient interactions in situ by chromatin capture methods, we are moving toward the next stage of visualising higher order macromolecular organisation in situ, in both space and in time. These and other experimental and computational approaches will enable us to follow how the information encoded in the primary sequence of the hereditary material is manifested as the complex and difficult to predict readout, namely the biological phenotype upon which evolution acts blindly.
RNA–Protein Interactions
Authors: Harris Michael E.
Published: May 2023

In this chapter, the chemical principles that underlie protein–RNA interactions are examined and the fundamental mechanisms by which proteins associate with specific targets in RNA molecules are identified. Although RNA binding proteins (RBPs) are similar to DNA binding proteins in terms of the variety of non-covalent interactions that dominate the nucleic acid–protein interface, the great variety of complex structures of RNAs necessarily results in a greater diversity and complexity in the structure of RBPs and, therefore, in the mechanisms of their binding. Modular structures of RBPs embrace one or more RNA binding domains (RBDs). In addition, there are multiple classes of RBDs, each with their own characteristic conserved amino acid sequence and folded structure. The biological functions of RBPs demand specificity in binding their target, which is a target for ongoing exploration. Looking ahead, it has been optimistically recognized that selection of binding sites within the ‘sea’ of structurally similar alternative binding sites in the transcriptome presents a significant and persistent challenge for future discoveries. Moreover, RBPs are associated with human diseases and understanding of the structure and function of RBPs has advanced to the stage that they can realistically be identified as targets for therapeutic chemicals.
Nanoscopic Materials: Size-Dependent Phenomena and Growth Principles
Authors: Roduner Emil
Published: May 2023

In recent years there have been great advances in the development of new nanomaterials. To facilitate the progress of new materials it is essential to understand the underlying principles at the nanoscale.

Nanoscopic Materials provides an accessible overview of the physico-chemical and physical principles of nanomaterials including electronic structure, magnetic properties, thermodynamics of size dependence and phase transitions and dynamics of clusters and two-dimensional systems. This new edition has been fully revised and updated to reflect recent developments in new nanomaterials including graphene and core–shell structures, properties of nano-structured and intelligent surfaces as well as applications in catalysis and energy. Additional chapters cover the development of nucleation and crystal shape engineering; self-assembly and biomimetics for fabricating nanostructures.

With helpful illustrations and summaries of key points in every chapter, this advanced textbook is ideal for graduate students of chemistry and materials science and researchers new to the field of nanoscience and nanotechnology.
Chemistry of the Solar System
Authors: Lodders Katharina , Fegley, Jr Bruce
Published: May 2023

This book is an appealing, concise, and factual account of the chemistry of the solar system. It includes basic facts about the chemical composition of the different bodies in the solar system, the major chemical processes involved in the formation of the Sun, planets, and small objects, and the chemical processes that determine their current chemical make-up. The book summarizes compositional data but focuses on the chemical processes and where relevant, it also emphasizes comparative planetology. There are numerous informative summary tables which illustrate the similarities (or differences) that help the reader to understand the processes described. Data is presented in graphical form which is useful for identifying common features of the major processes that determine the current chemical state of the planets. The book will interest general readers with a background in chemistry who will enjoy reading about the chemical diversity of the solar system's objects. It will serve as an introductory textbook for graduate classes in planetary sciences but will also be very popular with professional researchers in academia and government, college professors, and postgraduate fellows.
Nanochemistry: A Chemical Approach to Nanomaterials
Authors: Ozin Geoffrey A , Arsenault André , Cademartiri Ludovico
Published: May 2023

International interest in nanoscience research has flourished in recent years, as it becomes an integral part in the development of future technologies. The diverse, interdisciplinary nature of nanoscience means effective communication between disciplines is pivotal in the successful utilization of the science. Nanochemistry: A Chemical Approach to Nanomaterials is the first textbook for teaching nanochemistry and adopts an interdisciplinary and comprehensive approach to the subject. It presents a basic chemical strategy for making nanomaterials and describes some of the principles of materials self-assembly over 'all' scales. It demonstrates how nanometre and micrometre scale building blocks (with a wide range of shapes, compositions and surface functionalities) can be coerced through chemistry to organize spontaneously into unprecedented structures, which can serve as tailored functional materials. Suggestions of new ways to tackle research problems and speculations on how to think about assembling the future of nanotechnology are given. Primarily designed for teaching, this book will appeal to graduate and advanced undergraduate students. It is well illustrated with graphical representations of the structure and form of nanomaterials and contains problem sets as well as other pedagogical features such as further reading, case studies and a comprehensive bibliography.
Nanoscience
Authors: Baddeley Christopher J.
Published: May 2023

Metal nanoparticles supported on high surface area oxide materials form the active component of many industrial heterogeneous catalysts. This chapter examines how the structural, electronic and catalytic properties of metal nanoparticles differ from those exhibited by bulk metals. In addition, the influence of the oxide support on the activity and/or selectivity of a catalytic reaction is discussed.
Heterogeneous Catalysis
Authors: Bitter Harry
Published: May 2023

Heterogeneous catalysts are plentiful in the chemical industry. In this chapter, a short overview will be given on the steps needed to convert a reactant into a product over a heterogeneous catalyst. In addition, an introduction will be given on the way a catalyst assists in the making and breaking of chemical bonds. The role of the support on the performance of a catalyst either via electronic effects or adsorption effects will be discussed.
Biocatalysis
Authors: Wever R. , Corr M. J. , Goss R. J. M. , Kamer Paul
Published: May 2023

In biocatalytic processes, enzymes are frequently immobilised and/or used in organic solvents. This chapter describes the simple chemistry that is used to immobilise enzymes. It also discusses some of the do's and don'ts in the use of organic solvents. Several examples of the applications of enzymes in industrial biocatalytic processes are provided, and the properties of a number of oxidoreductases, a class of enzymes of particular industrial significance, are discussed.
Introduction to Electrocatalysis
Authors: Irvine John T. S.
Published: May 2023

Electrochemical conversion of energy into useful chemicals and fuels is of paramount importance in addressing the challenges of global warming and universal energy availability. In this chapter, we provide a basic introduction to electrocatalysis and electrocatalysts. Firstly, the underlying principles are discussed and examples of electrocatalysis applications are reviewed. We then focus on high temperature electrocatalysis, as exemplified by membrane production of ammonia and Solid Oxide Cells (SOCs). In membrane production of ammonia, we consider electrocatalytic enhancement as well as Faradaic electrocatalysis, whereas in solid oxide cells only Faradaic processes are considered. The reduction of oxygen in solid oxide fuel cell air electrodes and the oxidation of fuel in solid oxide fuel cells are considered, and then the influence of nanoarchitecture in SOCs is reviewed.
Photocatalysis
Authors: Kudo Akihiko
Published: May 2023

Readers can learn the fundamentals of photocatalysis involving schemes, materials, efficiencies, and factors affecting performances. Photocatalytic and photoelectrochemical systems for water splitting and CO2 reduction of artificial photosynthesis that can contribute to solving energy, environment, and resource issues are described. Environmental purification and reactions of organic compounds using photocatalysts are also introduced.
Solid Materials for Heterogeneous Catalysis
Authors: Wilde Nicole , Gläser Roger
Published: May 2023

Solid catalysts comprise multiple functionalities and often consist of several constituents including active components, supports, binders, and promoters. In the present chapter, the basic principles of the preparation of solid catalysts in view of the current state-of-the-art are comprehensively described. First, the most widely applied strategies for the preparation of solid supports including sol–gel-chemistry, (co)precipitation and pyrolysis/carbonization are presented. Then, the methods for immobilizing active components on a previously prepared support, i.e., impregnation, deposition precipitation and electrostatic adsorption, are described. A following section deals with the preparation principles of a wide span of bulk catalysts including (mixed) metal oxides, zeolites and related microporous materials, ordered mesoporous materials, materials with multimodal pore structure, and the more recently reported metal–organic and covalent organic frameworks, as well as porous metals. Considering the industrial importance of solid catalysts, methods for catalyst shaping are also presented. Future demands and challenges for catalyst preparation are outlined in a concluding section.
Temperature Programmed Techniques
Authors: Lee Adam F. , Parlett Christopher M. A. , Wilson Karen
Published: May 2023

Thermal methods follow a chemical reaction/process as a function of the temperature and can be divided into three categories based on the gaseous reaction environment under which they are conducted (inert, oxidising or reducing). The techniques are applicable to both single crystal model catalyst systems under ultrahigh vacuum conditions and real catalytic systems comprising high surface area nanostructures (the focus of this section), and thus come close to bridging the pressure gap between fundamental surface science and applied catalysis.
Transition Metal Catalysed Methanol Carbonylation
Authors: Haynes Anthony
Published: May 2023

The production of acetic acid, via the transition metal catalysed carbonylation of methanol, is well established as a major commercial application of homogeneous catalysis. Since the 1960s, when a cobalt-based catalyst was first used industrially by BASF, methanol carbonylation processes have continuously evolved and improved. Notably, Monsanto developed a rhodium/iodide catalyst system, variants of which have been operated by a number of companies. More recently, the journey down group 9 of the periodic table was completed by the commercialisation of an iridium/iodide based catalyst system by BP Chemicals. This chapter deals with the fundamental chemistry underlying these processes. The catalytic mechanisms are discussed in the context of the activity, selectivity and stability of rhodium and iridium catalysts, together with examples from the recent literature of attempts to improve catalyst behaviour. Approaches such as catalyst immobilisation, ligand modification and promoter effects are described. The importance of mechanistic understanding, accomplished through a range of experimental and theoretical studies, is emphasised.
Environmental Analyses and Life Cycle Assessment Studies
Authors: Kralisch Dana , Ott Denise
Published: May 2023

Research and development in catalysis is well connected with green chemistry and green process design attempts. That is why a full chapter of this book is dealing with the recent progress in this field. An overview is given ranging from homogeneous vs. heterogeneous catalysis, biocatalysis, and the reactor and process engineering aspects to catalyst design and recovery. In addition, appropriate assessment methods of potential environmental impact are introduced, allowing an informed decision towards more environmentally benign concepts.
Nonvolatile electro-mechanical coupling in two-dimensional lattices
Authors: Xu Xilong , Zhang Ting , Dai Ying , Huang Baibiao , Ma Yandong
Published: May 2023

EPID mechanism is proposed for nonvolatile electro-mechanical coupling in two-dimensional lattices.
Enhanced electrochemical glucose sensing of Co/Cu-MOF by hydroxyl adsorption induced reactive oxygen species
Authors: Zhao Zhenlu , Wang Peihan , Hou Shuping
Published: May 2023

Here, we designed a copper–cobalt-based organic backbone with excellent sensing properties based on the nanostructure of “ultramicroelectrodes”, and explored the role of different hydroxyl adsorption capacities for glucose oxidation.
A fluorescent probe based on an enhanced ICT effect for Hg2+ detection and cell imaging
Authors: Pei Shuchen , Li Chaozheng , Pei Xinyu , Zhang Xiangyang , Chi Yuting , Zeng Wenhong , Zhang Yuanyuan , Liao Xiaoling , Chen Jun
Published: May 2023

The mercury ion (Hg2+) has hindered society to some extent due to its high biological toxicity, and a rapid method for Hg2+ detection is urgently needed.
Highly selective conversion of CO2 to para-xylene over tandem catalysts
Authors: Qu Yuanzhi , Li Zelong , Hu Hanwen , Chen Siyu , Wang Jijie , Li Can
Published: May 2023

SiO2 and MgO modification on ZSM-5 significantly improves the para-xylene selectivity of the CO2 hydrogenation reaction on the ZnZrO/ZSM-5 catalyst.
Tetrazine-induced activation of a trimethyl lock as a click-to-release system for protected doxorubicin
Authors: Friederich Julia , Xu Chunfa , Raunft Patrick , Fuchs Hazel L. S. , Brönstrup Mark
Published: May 2023

A novel click-to-release system enabling the chemically triggered activation of doxorubicin by combining an inverse electron demand Dials–Alder reaction with a trimethyl lock was synthesized and characterized.
Circularly polarized luminescence and nonlinear optical harmonic generation based on chiral zinc halides
Authors: Han Xiao , Cheng Puxin , Han Wenqing , Shi Rongchao , Guan Junjie , Li Geng , Xu Jialiang
Published: May 2023

The transfer of chirality from organics breaks inherent symmetry, leading to clear second-order NLO responses for chiral zinc halides. Additionally, successful CPL can be induced by doping chiral zinc halides with Sb3+containing 5s2electrons.
Excitonic coupling of RNA-templated merocyanine dimer studied by higher-order transient absorption spectroscopy
Authors: Dietzsch Julia , Jayachandran Ajay , Mueller Stefan , Höbartner Claudia , Brixner Tobias
Published: May 2023

An RNA duplex modified with a merocyanine dimer was synthesized and exciton dynamics within this dimer were studied using ultrafast third- and fifth-order transient absorption spectroscopy.
Brominated [20]silafulleranes: pushing the limits of steric loading
Authors: Bamberg Marcel , Gasevic Thomas , Bolte Michael , Virovets Alexander , Lerner Hans-Wolfram , Grimme Stefan , Bursch Markus , Wagner Matthias
Published: May 2023

Treatment of the [20]silafullerane [nBu4N][Cl@Si20(SiH3)12H8] with BBr3 enables the synthesis of regioselectively H/Br-substituted [nBu4N][Cl@Si20(SiBr2H)12Br8] and perbrominated [nBu4N][Cl@Si20(SiBr3)12Br8], depending on the reaction conditions.
Maturation of amyloid β fibrils alters their molecular stability
Authors: Becker Stefan , Giller Karin , Sieme Daniel , Rezaei-Ghaleh Nasrollah
Published: May 2023

High-pressure NMR investigation of freshly prepared and aged amyloid-beta aggregates reveals that their stability against pressure-induced monomer dissociation is increased through maturation.
Investigation of the electronic structure, mechanical, and thermoelectric properties of novel semiconductor compounds: XYTe (X = Ti/Sc; Y = Fe/Co)
Authors: Ahmad Aquil , Liu Chia-Jyi
Published: May 2023

We report the structural, mechanical, electronic, phonon, and thermoelectric properties of new XYTe (X= Ti/Sc; Y = Fe/Co) half-Heusler compounds by employing DFT computation and Boltzmann transport equations.
Hydrogen bonding and phase separation cooperatively guide the self-assembly of U60 and the polymer to fabricate multiscale nanostructures
Authors: Hu Jie , Mei Yingxuan , Wu Huifen , Zhao Yan , Wu Dongping , Ye Nan , Yi Peng , Yang Yu , Liao Minmeng
Published: May 2023

Under the synergistic effect of hydrogen bonding and nanophase separation, block-copolymers and low concentrations of U60 form spherical nanocomposites with frozen structures, and high concentrations of U60 form stable worm-like structures.
Casting light on molecular motions: controlling optical signal outputs of mechanically interlocked molecules
Authors: Gu Ruirui , Zhao Cai-Xin , Qu Da-Hui
Published: May 2023

This perspective summarizes recently reported mechanically interlocked molecules which are capable of changing their optical outputs in response to their stimuli-induced molecular motions.
Theoretical–experimental prediction of the selectivity between polyamidoamine dendrimers and bioactive peptides derived from amaranth seeds
Authors: Fajardo De La Rosa Alejandro , Hernández-Meléndez Oscar , Saniger-Blesa J. Manuel , Nicolás-Vázquez Ma. Inés , Bárzana Eduardo
Published: May 2023

The use of dendritic macromolecules in the selective separation of amaranth-derived bioactive peptides opens the door to new processes and applications in the use of biomolecules with important biological functions.
Sensitivity investigation of a biosensor with resonant coupling of propagating surface plasmons to localized surface plasmons in the near infrared region
Authors: Wang Huimin , Wang Tao , Zhong Simei , Zhang Jinyan , Yan Ruoqin , Xu Peng , Zhang Yu-hui , Yue Xinzhao , Wang Lu , Wang Yuandong , Yuan Xuyang , Zeng Jinwei , Wang Jian
Published: May 2023

We report a comprehensive sensitivity comparison of the PSPR and the resonant coupling mode between PSPR and LSPR biosensors. It could be a guide for the design of plasmonic sensors for detecting multiple substances at different scales.
Emerging extracellular vesicle-based carriers for glioblastoma diagnosis and therapy
Authors: Wang Jingjing , Liu Yue , Liu Fengbo , Gan Shaoyan , Roy Shubham , Hasan Ikram , Zhang Baozhu , Guo Bing
Published: May 2023

This review summarizes recent advances in extracellular vesicle-based carriers for glioblastoma diagnosis and therapy, and points out the current challenges and perspectives.
Photoinduced radicals modulated NIR photothermal conversion in a photochromic inorganic–organic complex
Authors: Wang Zhe , Wang Tieqiang , Wu Junbiao , Wang Zhuopeng , Li Jiyang
Published: May 2023

A UV induced photochromic inorganic–organic complex can modulate a near-infrared photothermal effect to achieve precise control of temperatures with good recyclability, a high conversion efficiency and a high temperature increase rate.
Iodine(iii)-mediated dehydroaromatization of cyclohexanones with primary amines and CD3SSO3Na to access ortho-SCD3 anilines
Authors: Wu Hui , He Youqing , Sun Kai , Xu Yaling , Wang Wenting , Wu Ge
Published: May 2023

Iodine(iii)-mediated dehydroaromatization of cyclohexanones with primary amines and CD3SSO3Na has been developed, providing direct access to ortho-SCD3 anilines with the formation of C–N and C–S bonds.
An alternative metal-free amination approach to 3-trifluoromethyl aniline derivatives: the major products under Kröhnke pyridine synthesis conditions
Authors: Fang Zheng , Hong Biqiong , Wu Wei , Weng Zhiqiang
Published: May 2023

An alternative metal-free amination for the synthesis of 3-trifluoromethyl aniline derivatives under Kröhnke pyridine synthesis conditions has been developed.