bluuebunny/crossref_metadata_2025 huggingface dataset:
Distinct relaxation mechanism at room temperature in metallic glass
Authors: Sun Yi-Tao , Zhao Rui , Ding Da-Wei , Liu Yan-Hui , Bai Hai-Yang , Li Mao-Zhi , Wang Wei-Hua
Published: February 2023

How glasses relax at room temperature is still a great challenge for both experimental and simulation studies due to the extremely long relaxation time-scale. Here, by employing a modified molecular dynamics simulation technique, we extend the quantitative measurement of relaxation process of metallic glasses to room temperature. Both energy relaxation and dynamics, at low temperatures, follow a stretched exponential decay with a characteristic stretching exponent β = 3/7, which is distinct from that of supercooled liquid. Such aging dynamics originates from the release of energy, an intrinsic nature of out-of-equilibrium system, and manifests itself as the elimination of defects through localized atomic strains. This finding is also supported by long-time stress-relaxation experiments of various metallic glasses, confirming its validity and universality. Here, we show that the distinct relaxation mechanism can be regarded as a direct indicator of glass transition from a dynamic perspective.
Software JimenaE allows efficient dynamic simulations of Boolean networks, centrality and system state analysis
Authors: Kaltdorf Martin , Breitenbach Tim , Karl Stefan , Fuchs Maximilian , Kessie David Komla , Psota Eric , Prelog Martina , Sarukhanyan Edita , Ebert Regina , Jakob Franz , Dandekar Gudrun , Naseem Muhammad , Liang Chunguang , Dandekar Thomas
Published: February 2023

The signal modelling framework JimenaE simulates dynamically Boolean networks. In contrast to SQUAD, there is systematic and not just heuristic calculation of all system states. These specific features are not present in CellNetAnalyzer and BoolNet. JimenaE is an expert extension of Jimena, with new optimized code, network conversion into different formats, rapid convergence both for system state calculation as well as for all three network centralities. It allows higher accuracy in determining network states and allows to dissect networks and identification of network control type and amount for each protein with high accuracy. Biological examples demonstrate this: (i) High plasticity of mesenchymal stromal cells for differentiation into chondrocytes, osteoblasts and adipocytes and differentiation-specific network control focusses on wnt-, TGF-beta and PPAR-gamma signaling. JimenaE allows to study individual proteins, removal or adding interactions (or autocrine loops) and accurately quantifies effects as well as number of system states. (ii) Dynamical modelling of cell–cell interactions of plant Arapidopsis thaliana against Pseudomonas syringae DC3000: We analyze for the first time the pathogen perspective and its interaction with the host. We next provide a detailed analysis on how plant hormonal regulation stimulates specific proteins and who and which protein has which type and amount of network control including a detailed heatmap of the A.thaliana response distinguishing between two states of the immune response. (iii) In an immune response network of dendritic cells confronted with Aspergillus fumigatus, JimenaE calculates now accurately the specific values for centralities and protein-specific network control including chemokine and pattern recognition receptors.
Poorer sleep impairs brain health at midlife
Authors: Namsrai Tergel , Ambikairajah Ananthan , Cherbuin Nicolas
Published: February 2023

Sleep is an emerging risk factor for dementia but its association with brain health remains unclear. This study included UK Biobank (n = 29,545; mean age = 54.65) participants at imaging visit with sleep measures and brain scans, and a subset (n = 14,206) with cognitive measures. Multiple linear regression analyses were conducted to study the associations between sleep and brain health. Every additional hour of sleep above 7 h/day was associated with 0.10–0.25% lower brain volumes. In contrast, a negative non-linear association was observed between sleep duration, grey matter, and hippocampal volume. Both longer (> 9 h/day) and shorter sleep (< 6 h/day) durations were associated with lower brain volumes and cognitive measures (memory, reaction time, fluid intelligence). Additionally, daytime dozing was associated with lower brain volumes (grey matter and left hippocampus volume) and lower cognitive measures (reaction time and fluid intelligence). Poor sleep (< 6 h/day, > 9 h/day, daytime dozing) at midlife was associated with lower brain health. Sleep may be an important target to improve brain health into old age and delay the onset of dementia.
Identification and control for the effects of bioinformatic globin depletion on human RNA-seq differential expression analysis
Authors: Sheerin Dylan , Lakay Francisco , Esmail Hanif , Kinnear Craig , Sansom Bianca , Glanzmann Brigitte , Wilkinson Robert J. , Ritchie Matthew E. , Coussens Anna K.
Published: February 2023

When profiling blood samples by RNA-sequencing (RNA-seq), RNA from haemoglobin (Hgb) can account for up to 70% of the transcriptome. Due to considerations of sequencing depth and power to detect biological variation, Hgb RNA is typically depleted prior to sequencing by hybridisation-based methods; an alternative approach is to deplete reads arising from Hgb RNA bioinformatically. In the present study, we compared the impact of these two approaches on the outcome of differential gene expression analysis performed using RNA-seq data from 58 human tuberculosis (TB) patient or contact whole blood samples–29 globin kit-depleted and 29 matched non-depleted—a subset of which were taken at TB diagnosis and at six months post-TB treatment from the same patient. Bioinformatic depletion of Hgb genes from the non-depleted samples (bioinformatic-depleted) substantially reduced library sizes (median = 57.24%) and fewer long non-coding, micro, small nuclear and small nucleolar RNAs were captured in these libraries. Profiling published TB gene signatures across all samples revealed inferior correlation between kit-depleted and bioinformatic-depleted pairs when the proportion of reads mapping to Hgb genes was higher in the non-depleted sample, particularly at the TB diagnosis time point. A set of putative “globin-fingerprint” genes were identified by directly comparing kit-depleted and bioinformatic-depleted samples at each timepoint. Two TB treatment response signatures were also shown to have decreased differential performance when comparing samples at TB diagnosis to six months post-TB treatment when profiled on the bioinformatic-depleted samples compared with their kit-depleted counterparts. These results demonstrate that failure to deplete Hgb RNA prior to sequencing has a negative impact on the sensitivity to detect disease-relevant gene expression changes even when bioinformatic removal is performed.
Endoplasmic reticulum stress inhibition ameliorated WFS1 expression alterations and reduced pancreatic islets’ insulin secretion induced by high-fat diet in rats
Authors: Binayi Fateme , Fahanik-Babaei Javad , Salimi Mina , Eskandari Farzaneh , Sahraei Mohammad , Ghorbani Ranjbary Ali , Ghasemi Rasoul , Hedayati Mehdi , Khodagholi Fariba , Eliassi Afsaneh , Zardooz Homeira
Published: February 2023

Endoplasmic reticulum (ER) stress is involved in the development of glucose homeostasis impairment. When ER stress occurs, the unfolded protein response (UPR) is activated to cope with it. One of the UPR components is WFS1 (Wolfram syndrome 1), which plays important roles in ER homeostasis and pancreatic islets glucose-stimulated insulin secretion (GSIS). Accordingly and considering that feeding high-fat food has a major contribution in metabolic disorders, this study aimed to investigate the possible involvement of pancreatic ER stress in glucose metabolism impairment induced by feeding high-fat diet (HFD) in male rats. After weaning, the rats were divided into six groups, and fed on normal diet and HFD for 20 weeks, then 4-phenyl butyric acid (4-PBA, an ER stress inhibitor) was administered. Subsequently, in all groups, after performing glucose tolerance test, the animals were dissected and their pancreases were removed to extract ER, islets isolation and assessment of GSIS. Moreover, the pancreatic ER stress [binding of immunoglobulin protein (BIP) and enhancer-binding protein homologous protein (CHOP)] and oxidative stress [malondialdehyde (MDA), glutathione (GSH) and catalase] biomarkers as well as WFS1 expression level were evaluated. HFD decreased pancreatic WFS1 protein and GSH levels, and enhanced pancreatic catalase activity, MDA content, BIP and CHOP protein and mRNA levels as well as Wfs1 mRNA amount. Accordingly, it increased BIP, CHOP and WFS1 protein levels in the extracted ER of pancreas. In addition, the HFD caused glucose intolerance, and decreased the islets’ GSIS and insulin content. However, 4-PBA administration restored the alterations. It seems that, HFD consumption through inducing pancreatic ER stress, altered WFS1 expression levels, reduced the islets’ GSIS and insulin content and finally impaired glucose homeostasis.
Diagnostic accuracy of the Enferplex Bovine Tuberculosis antibody test in cattle sera
Authors: O’Brien Amanda , Clarke John , Hayton Alastair , Adler Andy , Cutler Keith , Shaw Darren J. , Whelan Clare , Watt Neil J. , Harkiss Gordon D.
Published: February 2023

Bovine tuberculosis is a contagious bacterial disease of worldwide economic, zoonotic and welfare importance caused mainly by Mycobacterium bovis infection. Current regulatory diagnostic methods lack sensitivity and require improvement. We have developed a multiplex serological test for bovine tuberculosis and here we provide an estimate of the diagnostic accuracy of the test in cattle. Positive and negative reference serum samples were obtained from animals from Europe and the United States of America. The diagnostic specificity estimate was 98.4% and 99.7% using high sensitivity and high specificity settings of the test respectively. Tuberculin boosting did not affect the overall specificity estimate. The diagnostic sensitivity in samples from Mycobacterium bovis culture positive animals following tuberculin boosting was 93.9%.The relative sensitivity following boosting in tuberculin test positive, lesion positive animals and interferon gamma test positive, lesion positive animals was 97.2% and 96.9% respectively. In tuberculin test negative, lesion positive animals and in interferon gamma test negative, lesion positive animals, the relative sensitivity following tuberculin boosting was 88.2% and 83.6% respectively. The results show that the test has high diagnostic sensitivity and specificity and can detect infected animals that are missed by tuberculin and interferon gamma testing.
Investigation on the site of coronal deformities in Hallux valgus
Authors: Wei Rachel Xiaoyu , Ko Violet Man-chi , Chui Elvis Chun-sing , Fu Bruma Sai-chuen , Hung Vivian Wing-yin , Yung Patrick Shu-hang , Ling Samuel Ka-kin
Published: February 2023

Hallux valgus (HV) is a common foot deformity that is more prevalent in females, characterised by abnormal adduction of the first metatarsal (MT) and valgus deviation of the phalanx on the transverse plane. Increasing evidence indicates that HV is more than a 2D deformity but a 3D one with rotational malalignment. Pronation deformity is seen during clinical examination for HV patients, but the exact origin of this rotational deformity is still unknown. Some attribute it to first tarsometatarsal (TMT) joint rotation, while others attribute it to intra-metatarsal bony torsion. In addition, the correlation between the rotational and transverse plane deformity is inconclusive. Identifying the origin of the rotational deformity will help surgeons choose the optimal surgical procedure while also enhancing our understanding of the pathophysiology of HV. This study aims to (1) develop an objective method for measuring the first MT torsion and first TMT joint rotation; (2) investigate the exact location of the coronal deformity in HV; (3) investigate the relationship between the severity of deformity on the transverse and coronal planes as well as the correlation between deformity severity and foot function/symptoms in HV. Age-matched females with and without HV were recruited at the Foot and Ankle Clinic of the Department of Orthopaedics and Traumatology. Computed tomography was conducted for all subjects with additional weight-bearing dorsal-plantar X-ray examination for HV subjects. Demographic information of all subjects was recorded, with symptoms and functions related to HV evaluated. The intra-class correlation was used to explore the relationship between deformities on different planes and the deformity severity and functional outcomes, respectively. An Independent t-test was used to compare joint rotation and bone torsion degrees. TMT joint rotation is significantly correlated with foot function. HV patients had more TMT joint rotation but not MT torsion compared to normal controls. No relationship was found between the coronal rotation and the 1,2-intermetatarsal angle (IMA) or Hallux valgus angle (HVA) on the transverse plane. Our results indicate that coronal deformities in HV may originate from TMT joint rotation. In addition, the severity of the TMT joint coronal rotation correlates with worse foot function; thus, multi-plane assessment and examination will be necessary for more precise surgical correction.
Oxygenated hemoglobin as prognostic marker among patients with systemic sclerosis screened for pulmonary hypertension
Authors: Xanthouli Panagiota , Gordjani Ojan , Benjamin Nicola , Trudzinski Franziska C. , Egenlauf Benjamin , Harutyunova Satenik , Marra Alberto M. , Milde Nicklas , Nagel Christian , Blank Norbert , Lorenz Hanns-Martin , Grünig Ekkehard , Eichstaedt Christina A.
Published: February 2023

Oxygenated hemoglobin (OxyHem) in arterial blood may reflect disease severity in patients with systemic sclerosis (SSc). The aim of this study was to analyze the predictive value of OxyHem in SSc patients screened for pulmonary hypertension (PH). OxyHem (g/dl) was measured by multiplying the concentration of hemoglobin with fractional oxygen saturation in arterialized capillary blood. Prognostic power was compared with known prognostic parameters in SSc using uni- and multivariable analysis. A total of 280 SSc patients were screened, 267 were included in the analysis. No signs of pulmonary vascular disease were found in 126 patients, while 141 patients presented with mean pulmonary arterial pressure ≥ 21 mmHg. Interstitial lung disease (ILD) was identified in 70 patients. Low OxyHem ≤ 12.5 g/dl at baseline was significantly associated with worse survival (P = 0.046). In the multivariable analysis presence of ILD, age ≥ 60 years and diffusion capacity for carbon monoxide (DLCO) ≤ 65% were negatively associated with survival. The combination of low DLCO and low OxyHem at baseline could predict PH at baseline (sensitivity 76.1%). This study detected for the first time OxyHem ≤ 12.5 g/dl as a prognostic predictor in SSc patients. Further studies are needed to confirm these results.
The graph structure of two-player games
Authors: Biggar Oliver , Shames Iman
Published: February 2023

In this paper, we analyse two-player games by their response graphs. The response graph has nodes which are strategy profiles, with an arc between profiles if they differ in the strategy of a single player, with the direction of the arc indicating the preferred option for that player. Response graphs, and particularly their sink strongly connected components, play an important role in modern techniques in evolutionary game theory and multi-agent learning. We show that the response graph is a simple and well-motivated model of strategic interaction which captures many non-trivial properties of a game, despite not depending on cardinal payoffs. We characterise the games which share a response graph with a zero-sum or potential game respectively, and demonstrate a duality between these sets. This allows us to understand the influence of these properties on the response graph. The response graphs of Matching Pennies and Coordination are shown to play a key role in all two-player games: every non-iteratively-dominated strategy takes part in a subgame with these graph structures. As a corollary, any game sharing a response graph with both a zero-sum game and potential game must be dominance-solvable. Finally, we demonstrate our results on some larger games.
Simultaneous determination of volatile phenol, cyanide, anionic surfactant, and ammonia nitrogen in drinking water by a continuous flow analyzer
Authors: Qin Guofu , Zou Keting , He Fengrui , Shao Ji , Zuo Bei , Liu Jia , Liu Ruixiao , Yang Bixia , Zhao Guipeng
Published: February 2023

This study developed a method for the simultaneous determination of volatile phenol, cyanide, anionic surfactant, and ammonia nitrogen in drinking water, using a continuous flow analyzer. The samples were first distilled at 145 °C. The phenol in the distillate then subsequently reacted with alkaline ferricyanide and 4-aminoantipyrine to form a red complex that was measured colorimetrically at 505 nm. Cyanide in the distillate subsequently reacted with chloramine T to form cyanogen chloride, which then formed a blue complex with pyridinecarboxylic acid that was measured colorimetrically at 630 nm. The anionic surfactant reacted with basic methylene blue to form a compound that was extracted into chloroform and washed with acidic methylene blue to remove interfering substances. The blue compound in chloroform was determined colorimetrically at 660 nm. Ammonia reacted with salicylate and chlorine from dichloroisocyanuric acid to produce indophenol blue at 37 °C in an alkaline environment that was measured at 660 nm. The relative standard deviations were 0.75–6.10% and 0.36–5.41%, respectively, and the recoveries were 96.2–103.6% and 96.0–102.4% when the mass concentration of volatile phenol and cyanide was in the range of 2–100 μg/L. The linear correlation coefficients were ≥ 0.9999, and the detection limits were1.2 μg/L and 0.9 μg/L, respectively. The relative standard deviations were 0.27–4.86% and 0.33–5.39%, and the recoveries were 93.7–107.0% and 94.4–101.7%. When the mass concentration of anionic surfactant and ammonia nitrogen was 10–1000 μg/L. The linear correlation coefficients were 0.9995 and 0.9999, and the detection limits were 10.7 μg/L and 7.3 μg/L, respectively. When compared to the national standard method, no statistically significant difference was found. This approach saves time and labor, has a lower detection limit, higher precision and accuracy, less contamination, and is more appropriate for the analysis and determination of large-volume samples.
Impact of air pollution on running performance
Authors: Cusick Marika , Rowland Sebastian T. , DeFelice Nicholas
Published: February 2023

Air pollution exposures during training may impact race performances. We aggregated data on 334 collegiate male track & field athletes from 46 universities across the United States over 2010–2014. Using distributed lag non-linear models, we analyzed the relationship between race time and PM2.5, ozone, and two versions of the Air Quality Index (AQI) exposures up to 21 days prior to the race. We observed a 12.8 (95% CI: 1.3, 24.2) second and 11.5 (95% CI: 0.8, 22.1) second increase in race times from 21 days of PM2.5 exposure (10.0 versus 5.0 μg/m3) and ozone exposure (54.9 versus 36.9 ppm), respectively. Exposure measured by the two-pollutant threshold (PM2.5 and ozone) AQI was not significantly associated with race time; however, the association for summed two-pollutant AQI (PM2.5 plus ozone) was similar to associations observed for the individual pollutants (12.4, 95% CI: 1.8, 23.0 s). Training and competing at elevated air pollution levels, even at exposures within AQI’s good-to-moderate classifications, was associated with slower race times. This work provides an initial characterization of the effect of air pollution on running performance and a justification for why coaches should consider approaches to reduce air pollution exposures while training.
Majority networks and local consensus algorithm
Authors: Goles Eric , Medina Pablo , Santiváñez Julio
Published: February 2023

In this paper, we study consensus behavior based on the local application of the majority consensus algorithm (a generalization of the majority rule) over four-connected bi-dimensional networks. In this context, we characterize theoretically every four-vicinity network in its capacity to reach consensus (every individual at the same opinion) for any initial configuration of binary opinions. Theoretically, we determine all regular grids with four neighbors in which consensus is reached and in which ones not. In addition, in those instances in which consensus is not reached, we characterize statistically the proportion of configurations that reach spurious fixed points from an ensemble of random initial configurations. Using numerical simulations, we also analyze two observables of the system to characterize the algorithm: (1) the quality of the achieved consensus, that is if it respects the initial majority of the network; and (2) the consensus time, measured as the average amount of steps to reach convergence.
Spider mites avoid caterpillar traces to prevent intraguild predation
Authors: Kinto Shiori , Akino Toshiharu , Yano Shuichi
Published: February 2023

The phytophagous spider mites Tetranychus kanzawai and Tetranychus urticae can be as small as < 0.5 mm; thus, they are often incidentally consumed along with food plant leaves by voracious lepidopteran larvae (hereafter, ‘caterpillars’). Therefore, the ability to avoid such intraguild predation should confer a selective advantage to mites. We experimentally demonstrated that adult females of both mite species avoided settling on food plant leaves with traces of all tested caterpillar species (Bombyx mori, Papilio xuthus, Spodoptera litura and Theretra oldenlandiae). We examined additional interactions using B. mori and T. kanzawai and found that B. mori trace avoidance by T. kanzawai lasted for more than 48 h. Tetranychus kanzawai also avoided B. mori traces on plant stems, along which mites access leaves. Moreover, T. kanzawai avoided acetone extracts of B. mori traces applied to filter paper, indicating that chemical substances of caterpillar traces are responsible for the avoidance. This study is the first demonstration of a repellent effect of herbivore trace chemicals on heterospecific herbivores. Although spider mites have developed resistance against many synthetic pesticides, these results predict that natural compounds simulating caterpillar traces may repel spider mites from agricultural crops.
Non-invasive screening of breast cancer from fingertip smears—a proof of concept study
Authors: Russo C. , Wyld L. , Da Costa Aubreu M. , Bury C. S. , Heaton C. , Cole L. M. , Francese S.
Published: February 2023

Breast cancer is a global health issue affecting 2.3 million women per year, causing death in over 600,000. Mammography (and biopsy) is the gold standard for screening and diagnosis. Whilst effective, this test exposes individuals to radiation, has limitations to its sensitivity and specificity and may cause moderate to severe discomfort. Some women may also find this test culturally unacceptable. This proof-of-concept study, combining bottom-up proteomics with Matrix Assisted Laser Desorption Ionisation Mass Spectrometry (MALDI MS) detection, explores the potential for a non-invasive technique for the early detection of breast cancer from fingertip smears. A cohort of 15 women with either benign breast disease (n = 5), early breast cancer (n = 5) or metastatic breast cancer (n = 5) were recruited from a single UK breast unit. Fingertips smears were taken from each patient and from each of the ten digits, either at the time of diagnosis or, for metastatic patients, during active treatment. A number of statistical analyses and machine learning approaches were investigated and applied to the resulting mass spectral dataset. The highest performing predictive method, a 3-class Multilayer Perceptron neural network, yielded an accuracy score of 97.8% when categorising unseen MALDI MS spectra as either the benign, early or metastatic cancer classes. These findings support the need for further research into the use of sweat deposits (in the form of fingertip smears or fingerprints) for non-invasive screening of breast cancer.
Chemistry: Reading and Writing the Book of Nature
Authors: Balzani Vincenzo , Venturi Margherita
Published: February 2023

Many people are convinced that, among other courses taught in schools, chemistry is a difficult and complex subject. This view is often arrived at without justification. Setting out to introduce chemistry concepts and demystify chemistry, this book shows how it is a major part of our everyday lives. It introduces the readers into the wonderful world of atoms and molecules and chemical reactions whilst showing that chemistry is centrally important but also an emerging science and defines what the practising chemist does. The book also examines curiosity, creativity, fascination, poetry, beauty, and ethics in science.

Originally published in Italian, ‘Chimica – leggere e scrivere il libro della Natura’ was among the finalists of the 2013 Italian Award for popularization of science. The English translation has been sensitively delivered to explain concepts in simple language and emphasize the positive role that chemistry can play to shape our future.
Dust in Galaxies
Authors: Williams David A , Cecchi-Pestellini Cesare
Published: February 2023

Without interstellar dust, the Universe as we see it today would not exist. Yet at first we considered this vital ingredient merely an irritating fog that prevented a clear view of the stars and nebulae in the Milky Way and other galaxies. We now know that interstellar dust has essential roles in the physics and chemistry of the formation of stars and planetary systems, the creation of the building blocks of life, and in the movement of those molecules to new planets. This is the story in this book.

After introducing the materials this interstellar dust is made of, the authors explain the range of sizes and shapes of the dust grains in the Milky Way galaxy and the life cycle of dust, starting from the origins of dust grains in stellar explosions through to their turbulent destruction. Later on we see the variety of processes in interstellar space involving dust and the events there that cause the dust to change in ways that astronomers and astrobiologists can use to indirectly observe those events.

This book is written for a general audience, concentrating on ideas rather than detailed mathematics and chemical formulae, and is the first time interstellar dust has been discussed at an accessible level.
The Science and Commerce of Whisky
Authors: Buxton Ian , Hughes Paul S
Published: February 2023

Since the publication of the first edition in 2014, the whisky industry has continued to change. This book provides the reader with an overview of the latest academic research and industry best practice in an accessible and authoritative format. Despite the recession, new distillation capacity has been added at a record pace and new consumers in new markets have entered the arena. Distillers are experimenting with new finishes, packaging and marketing techniques and amongst consumers there is a hunger for knowledge and informed commentary. An entirely new chapter discussing the management and utilization of co-products and recent developments in areas such as anaerobic digestion is included along with revisions and updates to most chapters. Written by acknowledged and experienced authorities of the subject, this book provide an up to date treatment of this fast developing area. Aimed at the popular market, it provides a leading text for students of distilling, industry practitioners, new craft distillers and whisky enthusiasts.

Review of the 1st Edition

‘The authors have clearly put much effort into this book... I enjoyed the book almost as much as I enjoy whisky. Fascinating stuff from cover to cover.’ Ian W. Davies, Chromatographia, 2014, 77, 1733-1734

‘Sometimes, you come across a book that’s so comprehensive that it’s worth shouting about….a fascinating book that can be engaged with on numerous levels, even if you aren’t a student of distilling.

Pop it on the shelf and consult it from time to time over the coming years.

This might be the only whisky book you’ll ever need.’

http://malt-review.com/2014/08/01/book-review-the-science-and-commerce-of-whisky/
Chemical Engineering Explained: Basic Concepts for Novices
Authors: Shallcross David
Published: February 2023

Written for those less comfortable with science and mathematics, this text introduces the major chemical engineering topics for non-chemical engineers. With a focus on the practical rather than the theoretical, the reader will obtain a foundation in chemical engineering that can be applied directly to the workplace. By the end of this book, the user will be aware of the major considerations required to safely and efficiently design and operate a chemical processing facility.

Simplified accounts of traditional chemical engineering topics are covered in the first two-thirds of the book, and include: materials and energy balances, heat and mass transport, fluid mechanics, reaction engineering, separation processes, process control and process equipment design. The latter part details modern topics, such as biochemical engineering and sustainable development, plus practical topics of safety and process economics, providing the reader with a complete guide.

Case studies are included throughout, building a real-world connection. These case studies form a common thread throughout the book, motivating the reader and offering enhanced understanding. Further reading directs those wishing for a deeper appreciation of certain topics.

This book is ideal for professionals working with chemical engineers, and decision makers in chemical engineering industries. It will also be suitable for chemical engineering courses where a simplified introductory text is desired.
The Chemistry of Polymers
Authors: Nicholson John W
Published: February 2023

The Chemistry of Polymers, 5th Edition, is fully updated with the latest developments in polymer science providing a highly readable textbook for those requiring a broad overview of the subject.

Like previous editions, the book continues to explore the subject from an applications point of view, providing a comprehensive introduction to all aspects of polymer science including synthesis, structure, properties, degradation and dendrimers. Recent advances in special topics in polymer chemistry and polymers and the environment are also discussed in an informative and up-to-date manner.

The new edition features additional content on recent developments in new polymer synthesis techniques including reversible addition-fragmentation chain transfer (RAFT) polymerization, atom transfer radical polymerization (ATRP) and ring-opening metathesis polymerization (ROMP). The book also contains new content on the latest developments in polymer characterisation methods as well as applications of polymers including co-ordination polymers and lithium-polymer batteries.

The book is essential reading for university students, teachers and scientists who wish to acquire an up-to-the-minute overview of polymer science and its many specialised topics in an informative and easy to read style.
The Chemistry of Plants and Insects: Plants, Bugs, and Molecules
Authors: Séquin Margareta
Published: February 2023

Have you ever wondered how plants attract certain insects, or how insects communicate with each other? This book explains the natural chemical compounds that determine the fascinating interactions between plants and insects providing a gentle and absorbing introduction to organic chemistry that is highly relevant to everyday life and to the natural world.

Specific organic compounds and intriguing chemistry determine whether insects are keen on feeding on plants or avoid certain plants altogether. Some insects have learned to use plant compounds as their own defences, and some plants use digestive processes to use insects as nutritional supplements. Plant-insect interactions are vital for our food supply, for pollination of orchards or detrimentally in insect infestations of crops, as well as in applications like silk production.

By the author of the popular book, The Chemistry of Plants: Perfumes, Pigments, and Poisons, this book benefits from Margareta Séquin’s vast experience leading field trips and seminars to botanical gardens and nature reserves, and teaching chemistry to beginners.

Organic chemistry is often seen as a challenging, sometimes abstract field. This book makes chemistry exciting and accessible for readers interested in a deeper understanding of the natural world. The book is organized according to the increasing complexity of compounds introduced, and so it also serves as a useful teaching aid for undergraduate chemistry or biology courses, and as a supplementary text for students in plant sciences, ecology, and entomology, and in horticultural programs.
Pharmaceutical Crystallography: A Guide to Structure and Analysis
Authors: Bond Andrew
Published: February 2023

The pharmaceutical industry has become acutely aware of the importance of the solid state, but pharmaceutical scientists often lack specific training in topics related to solid-state structure and crystallography. This book provides needed support in this topical area.

Taking an intuitive and informal approach to solid-state structure and crystallographic concepts, this book is written for anyone who needs a clear understanding of modern crystallography, with specific reference to small-molecule pharmaceutical solids. The author describes molecular crystals and crystal structures, symmetry, space groups, single-crystal and powder X-ray diffraction techniques and the analysis and interpretation of crystallographic data. Useful technical details are presented where necessary and case studies from the pharmaceutical literature put theory into a practical context.

Written by an internationally leading figure and with its focus on molecular crystals, this book is equally applicable to chemists with a need to understand and apply X-ray crystal-structure determination.
Complete Science Communication: A Guide to Connecting with Scientists, Journalists and the Public
Authors: Fortenberry Ryan C
Published: February 2023

Science communication is a rapidly expanding area, and a key component of many final year undergraduate and postgraduate courses. Authored by a highly regarded chemist and science communicator, this textbook pulls together all aspects of science communication. Complete Science Communication focusses on four major aspects of science communication: writing for non-technical audiences and science journalism; writing for technical audiences and peer-reviewed journal writing; public speaking of science; and public relations. It first showcases how writing in a journalistic style is done and provides a guide for colloquially communicating science. Then, the art of writing scientific papers is conjoined to this idea to make technical manuscripts more digestible, readable, and, hence, citable. These ideas are next taken into the spoken word so that the scientist can engage in telling their science like that natural human art of campfire stories. Finally, all of these communication concepts are wrapped together in a discussion of public relations, providing the scientist with an appreciation for the marketing directors and news disseminators with whom they will work. Written in an accessible way, this textbook will provide science students with an appreciative understanding of communication, marketing, journalism, and public relations. They can incorporate these aspects into their own practices as scientists, allowing them to liaise with practitioners in the communication field.
Gas Chromatography-Mass Spectrometry: How Do I Get the Best Results?
Authors: Turner Diane C , Schäfer Mathias , Lancaster Steven , Janmohamed Imran , Gachanja Anthony , Creasey Jason
Published: February 2023

Gas chromatography–mass spectrometry (GC-MS) is a powerful way to analyse a range of substances. It is used in everything from food safety to medicine. It has even been used to protect endangered vultures through analysis of poisonous pesticide molecules in their environment!

I want to apply this technique, where do I begin? Is GC-MS is the right technique to use? How do I prepare my samples and calibrate the instruments? This textbook has the answers to all these questions and more.

Throughout the book, case studies illustrate the practical process, the techniques used and any common challenges. Newcomers can easily search for answers to their question and find clear advice with coloured images on how to get started and all subsequent steps involved in using GC-MS as part of a research process. Readers will find information on collecting and preparing samples, designing and validating methods, analysing results, and troubleshooting. Examples of pollutant, food, oil and fragrance analysis bring the theory to life.

The authors use their extensive experience teaching GC-MS theory and practice and draw on their combined backgrounds applying the technique in academic and industry settings to bring this practical reference together. The authors also design and teach the Royal Society of Chemistry’s Pan Africa Chemistry Network GC-MS course, which is supported by GSK.
Controlling lamellarity and physicochemical properties of liposomes prepared using a microfluidic device
Authors: Matsuura-Sawada Yuka , Maeki Masatoshi , Uno Shuya , Wada Koichi , Tokeshi Manabu
Published: February 2023

The function of liposomal drugs and cosmetics is not only controlled by the lipid composition/formulation, but also by the liposome size and internal structure/properties (uni- and multi-lamellae) and membrane rigid/fluidic properties.
Comment on “Deciphering calcium-binding behaviors of casein phosphopeptides by experimental approaches and molecular simulation” by M. Luo, J. Xiao, S. Sun, F. Cui, G. Liu, W. Li, Y. Li and Y. Cao, Food Funct., 2020, 11, 5284
Authors: Horne David S.
Published: February 2023

But this system is not as simple as depicted since co-precipitation of all three reagents occurs when CPP is included.
Reply to the ‘Comment on “Deciphering calcium-binding behaviors of casein phosphopeptides by experimental approaches and molecular simulation”’ by D. Horne, Food Funct., 2022, 13, https://doi.org/D2FO00808D
Authors: Luo Minna , Liu Guo , Cao Yong
Published: February 2023

A Reply to the comment by Dr Horne, where we clarify that the overestimated binding capacity of CPPs is not a problem when deciphering calcium-binding behaviors.
Protection of nickel by self-assembled monolayers prepared in an aqueous self-emulsifying solution of a novel amphipathic organothiol
Authors: Yeyin Tao , Xiaoya Li , Peiming Hou , Shusen Peng , Yongcun Ma
Published: February 2023

This report explored a novel amphiphilic organothiol and prepared self-assembled monolayers (SAMs) on Ni substance in the aqueous micellar solution of this amphiphilic organothiol.
How a single mutation alters the protein structure: a simulation investigation on protein tyrosine phosphatase SHP2
Authors: Hou Yingnan , Lu Xiaoli , Xu Ziyao , Qu Jiarun , Huang Jing
Published: February 2023

Dissecting how and why a single E76K mutation alters the probability densities of the conformational ensemble of SHP2 with enhanced sampling metadynamics simulations.
Thermal plasma processing of Moringa oleifera biochars: adsorbents for fluoride removal from water
Authors: Gourai Moumita , Nayak Ashok K. , Nial Partha S. , Satpathy Bijaylaxmi , Bhuyan Rajashree , Singh Saroj K. , Subudhi Umakanta
Published: February 2023

Moringa leaf biochar-based adsorption of fluoride in contaminated drinking water.
Phonon transport in Janus monolayer siblings: a comparison of 1T and 2H-ISbTe
Authors: Chu Viet-Ha , Le Tien-Ha , Pham Truong-Tho , Nguyen Duc-Long
Published: February 2023

The phonon transport characteristics of Janus ISbTe siblings are investigated using first-principles calculations and the Boltzmann transport equation accelerated by a machine learning interatomic potential.
Building-up an interrelationship between isomeric benzyl inner side chains within nonfullerene acceptors and isomeric xylene solvents for non-chlorinated solvent-processed organic solar cells
Authors: Jeong Seonghun , Park Jeewon , Ji Yutong , Cho Yongjoon , Lee Byongkyu , Jeong Mingyu , Jung Sungwoo , Yang Sangjin , Zhang Youdi , Yoon Seong-Jun , Yang Changduk
Published: February 2023

Three isomeric BzY-series NFAs are developed by introducing inner benzyl side chains. Among the BzY-series NFA-based OSCs processed with non-chlorinated xylene solvents, PM6 : m-BzY exhibits PCE over 16% without an additive and thermal annealing process.
Disorder to order: how halide mixing in MAPbI3−xBrx perovskites restricts MA dynamics
Authors: Fykouras Kostas , Lahnsteiner Jonathan , Leupold Nico , Tinnemans Paul , Moos Ralf , Panzer Fabian , de Wijs Gilles A. , Bokdam Menno , Grüninger Helen , Kentgens Arno P. M.
Published: February 2023

This work reveals the correlation between anisotropy in MA+ reorientation dynamics and the nearest-neighbour halide layout, which is associated with the composition in mixed lead halide MAPbI3−xBrx perovskites.
In situnear-ambient pressure X-ray photoelectron spectroscopy reveals the effects of water, oxygen and light on the stability of PM6:Y6 photoactive layers
Authors: Zhang Qilun , Chen Yongzhen , Liu Xianjie , Fahlman Mats
Published: February 2023

To better understand the effects of water and oxygen on OSC materials’ stability,i.e.PM6 and Y6, we usedin situnear-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS) to investigate the electronic structures.
IrAu12superatom modified by chiral diphosphines: doping-induced enhancement of chiroptical activity
Authors: Hirai Haru , Nakashima Takuya , Takano Shinjiro , Shichibu Yukatsu , Konishi Katsuaki , Kawai Tsuyoshi , Tsukuda Tatsuya
Published: February 2023

Chiroptical activities of Au13superatom modified with chiral ligands were enhanced by doping of an Ir atom at the center of the core. The IrAu12superatom exhibited the brighter circularly polarized luminescence than Au13superatom.
Retracted: Intelligent distribution system of university student dormitory based on data fusion optimisation algorithm
Authors: Zheng Tingting
Published: February 2023

Retraction: [Tingting Zheng, Intelligent distribution system of university student dormitory based on data fusion optimisation algorithm, IET Software 2023 (https://doi.org/10.1049/sfw2.12100)].

The above article from IET Software, published online on 1 February 2023 in Wiley Online Library (wileyonlinelibrary.com), has been retracted by agreement between the Editor‐in‐Chief, Hana Chockler, the Institution of Engineering and Technology (the IET) and John Wiley and Sons Ltd. This article was published as part of a Guest Edited special issue. Following an investigation, the IET and the journal have determined that the article was not reviewed in line with the journal’s peer review standards and there is evidence that the peer review process of the special issue underwent systematic manipulation. Accordingly, we cannot vouch for the integrity or reliability of the content. As such we have taken the decision to retract the article. The authors have been informed of the decision to retract.
Formation mechanism and control strategy of M-shaped and W-shaped profile defects in hot rolling of aluminum plate
Authors: Liu Chao , Wu Hairui , He Anrui , Han Wenhao , Ma Bo , Zhang Huixia
Published: February 2023

Good profile is one of the important control objectives in hot rolling of aluminum plate. However, M-shaped profile defect often appears for wide aluminum plate and W-shaped profile defect often appears for narrow aluminum plate. In order to reveal the formation mechanism of the two typical profile defects, the evaluation indexes of the M-shaped profile defect and W-shaped profile defect are proposed, and the roll-plate coupling deformation model and the roll thermal expansion model are established. The effects of rolling force, bending force and work roll thermal expansion on the profile are analyzed using these models. The results show that the rolling force and bending force has little effect on M-shaped profile defect, and the main reason for this problem is the uneven thermal expansion of work roll. Meanwhile, the W-shaped profile defect is produced under the combined action of the roll thermal expansion and large roll deflection, and the roll thermal expansion is the necessary condition for the formation of W-shaped profile defect. The greater the thermal crown of the roll, the smaller the rolling force and the greater the bending force, the more obvious the W-shaped profile defect. Based on the above conclusions, industrial tests were carried out. By increasing the cooling flow in the middle of the roll, the frequency of M-shaped profile defect decreases from 29.4% to 9.0%. Meanwhile, by increasing the positive shifting of CVC rolls, reducing the bending force, and decreasing the cooling flow of work roll at the edge of the plate, the frequency of W-shaped profile defect decreases from 42.1% to 14.1%. The profiles of the hot rolled aluminum plates are effectively improved by the developed control strategies.
Sustainable inventory prediction with random defect and rework using Bat algorithm
Authors: Jain Madhu , Sharma Nidhi , Singh Praveendra
Published: February 2023

The sustainable EPQ models that have been proposed in the inventory literature are insufficient to address the practical scenario of defects in manufacturing and subsequent rework for remedial actions. In this article, sustainable inventory model with rework for the faulty products has been studied. Promotional activities are the key factors that significantly affect the market demand for an item. The impacts of random defects and combining economic and environmental elements on the economic order quantity with price and promotional effort dependent demand have been addressed. Numerical illustrations along with sensitivity analysis are presented to reveal the relevancy as well as computational tractability of the proposed investigation. For the profit optimization, a mixed integer problem has been formulated and analyzed by using Bat meta-heuristic optimization algorithm.
Influence of the particle size on a MnFe(P,Si,B) compound with giant magnetocaloric effect
Authors: Suye B. , Yibole H. , Meijuan W. , Wurentuya B. , Guillou F.
Published: February 2023

How the microstructure affects first-order magnetic transitions (FOMT) in materials with giant magnetocaloric effect remains poorly understood. Here, we study the FOMT and giant magnetocaloric effect occurring near room temperature in MnFe0.95P0.575Si0.36B0.065 particles with sizes ranging from 300 μm down to less than 15 μm. While this materials system shows a volume preserving FOMT, large anisotropic lattice discontinuities make it particularly sensitive to particle size. Grinding and sieving may lead up to 80% difference on the isothermal entropy change (ΔS). Differential scanning calorimetric measurements reveal that the decrease in ΔS does not only originate from the broadening of the transition but also involves a sudden drop in latent heat when particles are reduced from 54 μm to 31 μm, a range corresponding to about the average grain size of the bulk (26 μm). Thermal hysteresis is the largest in large particles and decreases when reducing the particle size.