bluuebunny/crossref_metadata_2025 huggingface dataset:
A soil productivity system reveals most Brazilian agricultural lands are below their maximum potential
Authors: Greschuk Lucas T. , Demattê José A. M. , Silvero Nélida E. Q. , Rosin Nícolas Augusto
Published: August 2023

Food production is extremely dependent on the soil. Brazil plays an important role in the global food production chain. Although only 30% of the total Brazilian agricultural areas are used for crop and livestock, the full soil production potential needs to be evaluated due to the environmental and legal impossibility to expand agriculture to new areas. A novel approach to assess the productive potential of soils, called “SoilPP” and based on soil analysis (0–100 cm) - which express its pedological information - and machine learning is presented. Historical yields of sugarcane and soybeans were analyzed, allowing to identify where it is still possible to improve crop yields. The soybean yields were below the estimated SoilPP in 46% of Brazilian counties and could be improved by proper management practices. For sugarcane, 38% of areas can be improved. This technique allowed us to understand and map the food yield situation over large areas, which can support farmers, consultants, industries, policymakers, and world food security planning.
Analysis of starch grains trapped in human dental calculus in Áspero, Peru during the Initial Formative Period (3000–1800 BCE)
Authors: Yseki Marco , Pezo-Lanfranco Luis , Machacuay Marco , Novoa Pedro , Shady Ruth
Published: August 2023

The objective of this research is to identify the plants consumed and to determine their dietary importance in Áspero, an urban center on the coast of the Supe Valley, Peru. Consequently, starch grains trapped in the human dental calculus of nine individuals were recovered, while the results from one individual from the Sacred City of Caral, located in the interior of Supe Valley, are presented. Eight species of food plants were identified, among them C3 plants: sweet potato, squash, potato, chili pepper, algarrobo, manioc and bean and C4 plant: maize. Previous isotopic analysis indicates that C3 plants formed the foundation of the diet at Áspero and Caral. Our results indicate a high ubiquity of C3 plants like sweet potato (100%) and squash (90%) suggesting, with caution, that these taxa were an important C3 source in the menu. Maize, C4 plant, showed a similar ubiquity (100%) to sweet potato and squash, however, previous isotopic analysis indicate that maize was a marginal food in Áspero and Caral. These results support that the absence and abundance of starch grains cannot be employed to directly infer the frequency of intake of C3 and C4 plants within a small population, as suggested by previous studies.
Ultrasensitive miniaturized planar microwave sensor for characterization of water–alcohol mixtures
Authors: Javadizadeh Saeed , Badieirostami Majid , Shahabadi Mahmoud
Published: August 2023

Designing a low-cost, compact, yet sensitive planar microwave sensor for complex permittivity measurement is highly desired for numerous applications though quite challenging. Here, in this research, an ultrasensitive planar microwave sensor is proposed which is based on an electric LC structure. The core sensor was fabricated on an FR-4 substrate using a simple fabrication process, then integrated within a polymethylmethacrylate microfluidic channel for straightforward liquid delivery to the sensing region. The resonance frequency of the bare sensor was designed to occur at 4.14 GHz while empty and shifted to 0.88 GHz when deionized water flows into the channel. The sensor response has been characterized for different mixture ratios of methanol and ethanol with deionized water. Next, the complex permittivity of the resulted binary mixtures has been extracted by the Debye model through a least square fitting method. The calculated average sensitivity is 1.45% which stands above most of sensors reported in the literature. Besides, the sensor has a small footprint with dimensions of 3.6 × 3.8 mm$$^2$$

2

making it a suitable candidate for integration with point-of-care testing devices.
The unusual properties of lactoferrin during its nascent phase
Authors: Notari Sara , Gambardella Giorgia , Vincenzoni Federica , Desiderio Claudia , Castagnola Massimo , Bocedi Alessio , Ricci Giorgio
Published: August 2023

Lactoferrin, a multifunctional iron-binding protein containing 16 disulfides, is actively studied for its antibacterial and anti-carcinogenic properties. However, scarce information is nowadays available about its oxidative folding starting from the reduced and unfolded status. This study discovers unusual properties when this protein is examined in its reduced molten globule-like conformation. Using kinetic, CD and fluorescence analyses together with mass spectrometry, we found that a few cysteines display astonishing hyper-reactivity toward different thiol reagents. In details, four cysteines (i.e. 668, 64, 512 and 424) display thousands of times higher reactivity toward GSSG but normal against other natural disulfides. The formation of these four mixed-disulfides with glutathione probably represents the first step of its folding in vivo. A widespread low pKa decreases the reactivity of other 14 cysteines toward GSSG limiting their involvement in the early phase of the oxidative folding. The origin of this hyper-reactivity was due to transient lactoferrin-GSSG complex, as supported by fluorescence experiments. Lactoferrin represents another disulfide containing protein in addition to albumin, lysozyme, ribonuclease, chymotrypsinogen, and trypsinogen which shows cysteines with an extraordinary and specific hyper-reactivity toward GSSG confirming the discovery of a fascinating new feature of proteins in their nascent phase.
Magnetic cobalt oxide supported organosilica-sulfonic acid as a powerful nanocatalyst for the synthesis of tetrahydrobenzo[a]xanthen-11-ones
Authors: Ardeshirfard Hakimeh , Elhamifar Dawood
Published: August 2023

A novel core–shell structured magnetic cobalt oxide supported organosilica-sulfonic acid (Co3O4@SiO2/OS-SO3H) nanocomposite is prepared through a low-cost, simple, and clean method. The characterization of Co3O4@SiO2/OS-SO3H was performed by using Fourier transform infrared (FT-IR) spectroscopy, thermal gravimetric analysis (TGA), powder X-ray diffraction (PXRD), energy dispersive X-ray (EDX) spectroscopy, scanning electron microscopy (SEM), vibrating sample magnetometer (VSM), and transmission electron microscopy (TEM). The TGA and FT-IR results illustrate the high stability of the designed nanocomposite. The SEM image showed a size of about 40 nm for the Co3O4@SiO2/OS-SO3H nanoparticles. Furthermore, according to the result of VSM analysis, the saturation magnetization of this nanocomposite was about 25 emu/g. This novel material was used as an efficient nanocatalyst for the synthesis of biologically active tetrahydrobenzo[a]xanthen-11-one derivatives. These products were obtained in high to excellent yields under green conditions. The recoverability and reusability of this catalyst were also investigated under applied conditions.
Six Sigma can significantly reduce costs of poor quality of the surgical instruments sterilization process and improve surgeon and operating room personnel satisfaction
Authors: Saporito Andrea , Tassone Claudio , Di Iorio Antonio , Barbieri Saraceno Marcella , Bressan Alessandro , Pini Ramon , Mongelli Francesco , La Regina Davide
Published: August 2023

Operating room (OR) management is a complex multidimensional activity combining clinical and managerial aspects. This longitudinal observational study aimed to assess the impact of Six-Sigma methodology to optimize surgical instrument sterilization processes. The project was conducted at the operating theatre of our tertiary regional hospital during the period from July 2021 to December 2022. The project was based on the surgical instrument supply chain analysis. We applied the Six Sigma lean methodology by conducting workshops and practical exercises and by improving the surgical instrument process chain, as well as checking stakeholders’ satisfaction. The primary outcome was the analysis of Sigma improvement. Through this supply chain passed 314,552 instruments in 2022 and 22 OR processes were regularly assessed. The initial Sigma value was 4.79 ± 1.02σ, and the final one was 5.04 ± 0.85σ (SMD 0.60, 95%CI 0.16–1.04, p = 0.010). The observed improvement was estimated in approximately $19,729 of cost savings. Regarding personnel satisfaction, 150 questionnaires were answered, and the overall score improved from 6.6 ± 2.2 pts to 7.0 ± 1.9 pts (p = 0.013). In our experience the application of the Lean Six Sigma methodology to the process of handling the surgical instruments from/to the OR was cost-effective, significantly decreased the costs of poor quality and increased internal stakeholder satisfaction.
Development of innovative methodology for determination of 6-thioguanine in whole blood erythrocytes by HPLC–PDA-based technique for medical diagnostics purposes
Authors: Noga Maciej , Zakrzewski Marcin , Wianowska Dorota , Gnatowski Maciej , Paprotny Łukasz , Jurowski Kamil
Published: August 2023

6-Thioguanine is an immunosuppressive drug, an analogue of guanine, applied to treat acute leukemia and inflammatory bowel disease. Excessive use of 6-thioguanine during clinical treatment may cause side effects. Moreover, providing a dose too low will be ineffective. Therefore, there is a critical need for a rapid, selective and routine approach to quantifying 6-thioguanine in body fluids to support a clinical application. A fully validated HPLC method has been developed to determine 6-thioguanine in whole blood samples using 5-bromouracil as an internal standard. 6-Thioguanine nucleotides were released from erythrocytes by perchloric acid, and then hydrolysed at 100 °C to the parent thiopurine, 6-thioguanine. The following validation parameters of the method were determined: specificity/selectivity, linearity range (479–17,118 ng/mL, R > 0.992), limits of detection (150 ng/mL) and quantification (479 ng/mL), accuracy (− 5.6 < Bias < 14.7), repeatability (CV 1.30–3.24%), intermediate precision (CV 4.19–5.78%), extraction recovery (79.1–103.6%) and carryover. Furthermore, the stability of the drug in whole blood samples under various storage conditions was investigated. The suggested method is suitable for determining 6-thioguanine in whole blood erythrocyte samples for drug level monitoring, thus correct dosing.
Insights into the estimation of surface tensions of mixtures based on designable green materials using an ensemble learning scheme
Authors: Soleimani Reza , Saeedi Dehaghani Amir Hossein
Published: August 2023

Precise estimation of the physical properties of both ionic liquids (ILs) and their mixtures is crucial for engineers to successfully design new industrial processes. Among these properties, surface tension is especially important. It’s not only necessary to have knowledge of the properties of pure ILs, but also of their mixtures to ensure optimal utilization in a variety of applications. In this regard, this study aimed to evaluate the effectiveness of Stochastic Gradient Boosting (SGB) tree in modeling surface tensions of binary mixtures of various ionic liquids (ILs) using a comprehensive dataset. The dataset comprised 4010 experimental data points from 48 different ILs and 20 non-IL components, covering a surface tension range of 0.0157–0.0727 N m−1 across a temperature range of 278.15–348.15 K. The study found that the estimated values were in good agreement with the reported experimental data, as evidenced by a high correlation coefficient (R) and a low Mean Relative Absolute Error of greater than 0.999 and less than 0.004, respectively. In addition, the results of the used SGB model were compared to the results of SVM, GA-SVM, GA-LSSVM, CSA-LSSVM, GMDH-PNN, three based ANNs, PSO-ANN, GA-ANN, ICA-ANN, TLBO-ANN, ANFIS, ANFIS-ACO, ANFIS-DE, ANFIS-GA, ANFIS-PSO, and MGGP models. In terms of the accuracy, the SGB model is better and provides significantly lower deviations compared to the other techniques. Also, an evaluation was conducted to determine the importance of each variable in predicting surface tension, which revealed that the most influential factor was the mole fraction of IL. In the end, William’s plot was utilized to investigate the model's applicability range. As the majority of data points, i.e. 98.5% of the whole dataset, were well within the safety margin, it was concluded that the proposed model had a high applicability domain and its predictions were valid and reliable.
Targeting the cochlin/SFRP1/CaMKII axis in the ocular posterior pole prevents the progression of nonpathologic myopia
Authors: Geng Chao , Liu Siyi , Wang Jindan , Wang Sennan , Zhang Weiran , Rong Hua , Cao Yunshan , Wang Shuqing , Li Zhiqing , Zhang Yan
Published: August 2023

Myopia is a major public health issue. However, interventional modalities for nonpathologic myopia are limited due to its complicated pathogenesis and the lack of precise targets. Here, we show that in guinea pig form-deprived myopia (FDM) and lens-induced myopia (LIM) models, the early initiation, phenotypic correlation, and stable maintenance of cochlin protein upregulation at the interface between retinal photoreceptors and retinal pigment epithelium (RPE) is identified by a proteomic analysis of ocular posterior pole tissues. Then, a microarray analysis reveals that cochlin upregulates the expression of the secreted frizzled-related protein 1 (SFRP1) gene in human RPE cells. Moreover, SFRP-1 elevates the intracellular Ca2+ concentration and activates Ca2+/calmodulin-dependent protein kinase II (CaMKII) signaling in a simian choroidal vascular endothelial cell line, and elicits vascular endothelial cell dysfunction. Furthermore, genetic knockdown of the cochlin gene and pharmacological blockade of SFRP1 abrogates the reduced choroidal blood perfusion and prevents myopia progression in the FDM model. Collectively, this study identifies a novel signaling axis that may involve cochlin in the retina, SFRP1 in the RPE, and CaMKII in choroidal vascular endothelial cells and contribute to the pathogenesis of nonpathologic myopia, implicating the potential of cochlin and SFRP1 as myopia interventional targets.
Topological superconductivity from forward phonon scatterings
Authors: Li Shaozhi , Hu Lun-Hui , Zhang Rui-Xing , Okamoto Satoshi
Published: August 2023

Searching for topological superconductors with non-Abelian states has been attracting broad interest. The most commonly used recipe for building topological superconductors utilizes the proximity effect, which significantly limits the working temperature. Here, we propose a mechanism to attain topological superconductivity via forward phonon scatterings. Our crucial observation is that electron-phonon interactions with small momentum transfers favor spin-triplet Cooper pairing under an applied magnetic field. This process facilitates the formation of chiral topological superconductivity even without Rashba spin-orbit coupling. As a proof of concept, we propose an experimentally feasible heterostructure to systematically study the entangled relationship among forward-phonon scatterings, Rashba spin-orbit coupling, pairing symmetries, and the topological property of the superconducting state. This theory not only deepens our understanding of the superconductivity induced by the electron-phonon interaction but also sheds light on the critical role of the electron-phonon coupling in pursuing non-Abelian Majorana quasiparticles.
Diazo-reaction based dual-mode colorimetric-electrochemical sensing of nitrite in pickled food
Authors: Pan Yixin , Jiang Jing , Kan Xianwen
Published: August 2023

A colorimetric-electrochemical dual-mode sensor was constructed for sensitive determination of nitrite in pickled food based on a diazo-reaction.
Genetically encoded fluorescence lifetime biosensors: overview, advances, and opportunities
Authors: Mo Yidan , Zhou Huangmei , Xu Jinming , Chen Xihang , Li Lei , Zhang Sanjun
Published: August 2023

This review outlines the overview, advances and opportunities of genetically encoded fluorescence lifetime biosensors, including their combination of lifetime imaging technique and lifetime analysis methods, applications and future consideration.
Sensitive determination of thiram in apple samples using a ZIF-67 modified Si/Au@Ag composite as a SERS substrate
Authors: Yang Rui , Zhang Baowen , Wang Ya , Zheng Yi , Zhang Qian , Yang Xiupei
Published: August 2023

Si/Au@Ag/ZIF-67 composite films prepared via self-assembly were employed as SERS-active substrates. The proposed substrates were used for rapid and sensitive detection of 4-ATP and thiram.
Virtual screening, identification and in vitro validation of small molecule GDP-mannose dehydrogenase inhibitors
Authors: Dolan Jonathan P. , Ahmadipour Sanaz , Wahart Alice J. C. , Cheallaigh Aisling Ní , Sari Suat , Eurtivong Chatchakorn , Lima Marcelo A. , Skidmore Mark A. , Volcho Konstantin P. , Reynisson Jóhannes , Field Robert A. , Miller Gavin J.
Published: August 2023

Identification of the first small molecule inhibitor for the guanosine diphosphate mannose dehydrogenase from Pseudomonas aeruginosa.
Nuclear quantum dynamics on the ground electronic state of neutral silver dimer 107Ag109Ag probed by femtosecond NeNePo spectroscopy
Authors: Jin Jiaye , Grellmann Max , Asmis Knut R.
Published: August 2023

Nuclear wave-packet dynamics for a single isotopologue of the neutral Ag2 are studied using femtosecond pump–probe spectroscopy providing accurate vibrational information as well as new insights into the excitation mechanism.
Secondary ionization of pyrimidine nucleobases and their microhydrated derivatives in helium nanodroplets
Authors: Asmussen Jakob D. , Abid Abdul R. , Sundaralingam Akgash , Bastian Björn , Sishodia Keshav , De Subhendu , Ben Ltaief Ltaief , Krishnan Sivarama , Pedersen Henrik B. , Mudrich Marcel
Published: August 2023

Radiation damage in a biological system is studied by secondary ionization of dopant clusters in helium nanodroplets following excitation or ionization of the droplet matrix.
Cryogenic infrared spectroscopy reveals remarkably short NH+⋯F hydrogen bonds in fluorinated phenylalanines
Authors: Safferthal Marc , Greis Kim , Chang Rayoon , Kirschbaum Carla , Hoffmann Waldemar , Meijer Gerard , von Helden Gert , Pagel Kevin
Published: August 2023

The name's bond⋯hydrogen bond. Short hydrogen bonds involving organic fluorine are a rare phenomenon. Herein, we use cryogenic gas-phase infrared spectroscopy to study fluorinated phenylalanine cations and reveal a remarkably close NH+⋯F contact.
Hypervalent organobismuth complexes: pathways toward improved reactivity, catalysis, and applications
Authors: Hyvl Jakub
Published: August 2023

Hypervalent (three-center, four-electron) bonding in organobismuth complexes has demonstrated to activate bonds and perturb electron configurations promoting synthesis, catalysis, materials, and other applications.
Electroreforming injects a new life into solid waste
Authors: Ma Yingxin , Zhang Yu , Yuan Wenfang , Du Mengmeng , Kang Sailei , Qiu Bocheng
Published: August 2023

This review draws the similarities between electroreforming of biomass and plastic derivatives and highlights the pretreatment of raw solid waste, the innovation in catalyst design, and mechanism investigation of waste derivative conversion.
Astrochemistry at high resolution: preface
Authors: McCoustra Martin R. S.
Published: August 2023

Martin McCoustra, Chair of the Scientific Organising Committee, introduces the Faraday Discussion volume on Astrochemistry at high resolution.
Development and application of a rapid coal calorific value analyzer based on NIRS-XRF
Authors: Gao Rui , Wang Shuqing , Li Jiaxuan , Tian Zhihui , Zhang Yan , Zhang Lei , Ye Zefu , Zhu Zhujun , Yin Wangbao , Jia Suotang
Published: August 2023

The combination of a rapid coal calorific value analyzer based on NIRS-XRF and a PLSR-based holistic-segmented modeling method greatly improves measurement accuracy and repeatability.
Micro- and nanosystems for the detection of hemorrhagic fever viruses
Authors: Bao Mengdi , Waitkus Jacob , Liu Li , Chang Yu , Xu Zhiheng , Qin Peiwu , Chen Juhong , Du Ke
Published: August 2023

Hemorrhagic fever viruses (HFVs) are virulent pathogens that can cause severe and often fatal illnesses in humans.
Accelerating Fe(iii)/Fe(ii) redox cycling by Zn0 in micro-nano dendritic Fe–Zn alloy for enhanced Fenton-like degradation of phenol
Authors: Hao Yue , Wang Jiankang , Xia Qixing , Zhang Xiao , Song Ying , Yao Zhongping
Published: August 2023

The sluggish Fe3+/Fe2+ cycling and nanocatalyst agglomeration are still the great challenges limiting the industrial application of Fenton-like processes.
Photocatalytic reduction of mono, di, and tri-nitrophenols over a Bi2MoO6/carbon nitride heterojunction
Authors: Cho Phyu Phyu , Mon Phyu Phyu , Vidyasagar Devthade , Madras Giridhar , Subrahmanyam Ch.
Published: August 2023

We employed a solvothermal and thermal pyrolysis approach to prepare a heterojunction of oxide perovskite (Bi2MoO6) dispersed on polymeric carbon nitride (PCN) sheets.
Interaction of plant alkaloid berberine with β-lactoglobulin: an account from spectroscopic, thermodynamic, and small-angle X-ray scattering studies aided by theoretical calculations
Authors: Saha Saumen , Bhattacharjee Snehasish , Chowdhury Joydeep
Published: August 2023

Binding of plant alkaloid berberine with β-lactoglobulin protein.
Autofluorescence-free in vivo imaging using a cyclometalated iridium complex with afterglow luminescence
Authors: Liu Yawei , Li Yanzhong , Pu Tao , Pei Yuetian , Fan Yiwei , Xu Congjian , Li Fuyou
Published: August 2023

We present an iridium complex (SO-IrD) with afterglow luminescence by photochemical reaction driven by singlet oxygen.
Revealing charge-shift bonds in H3+ and their metallic analogs M3+ (M = Li, Na, K) through electron density topology
Authors: Pino-Rios Ricardo
Published: August 2023

The present study reveals the charge-shift bonds in H3+ and M3+ (M = Li, Na, K). Additionally, this study shows that it is more appropriate to consider these compounds as non-cyclic.
Natural products with 1,2-oxazine scaffold: occurrence, chemical diversity, bioactivity, synthesis, and biosynthesis
Authors: Yan Li-Hong , Li Xin , Wang Bin-Gui
Published: August 2023

This review summarizes the chemical family of natural products with 1,2-oxazine scaffold, focusing on their source organisms, structural diversities, bioactivities, chemical synthesis, and biosynthesis.
Base-promoted Conia-ene cyclization of propargyl amides
Authors: Cerveri Alessandro , Vettori Mattia , Serafino Andrea , Maestri Giovanni
Published: August 2023

From simple propargyl amides to five-membered N-heterocycles via tBuO− initiation of an anionic chain.
Electrochemical NaI-mediated one-pot synthesis of guanidines from isothiocyanates via tandem addition-guanylation
Authors: Huynh Thao Nguyen Thanh , Nguyen Khuyen Thu , Sukwattanasinitt Mongkol , Wacharasindhu Sumrit
Published: August 2023

In this study, we present an electrochemical approach for the synthesis of guanidines from isothiocyanates and amines in a single reaction vessel.
Rapid entry to phenanthroindolizidine alkaloids via an acid-catalysed acyliminium ion-electrocyclization cascade
Authors: St. Pierre Max , Kempthorne Christine J. , Liscombe David K. , McNulty James
Published: August 2023

A synthesis of phenanthroindolizidine alkaloids was achieved via an acid catalysed deprotection-condensation-electrocyclization cascade. This provided a concise synthesis of (±)-seco-antofine and (±)-septicine in 4 steps and with high overall yields.
Unravelling the role of triisopropylphosphane telluride in Ag(i) complexes
Authors: Pérez-Sánchez Juan Carlos , Ceamanos Carmen , Herrera Raquel P. , Gimeno M. Concepción
Published: August 2023

Despite the scarcity of research on phosphane tellurides, our study unveils five novel silver complexes containing TeP(iPr)3 ligands. Silver phosphane telluride complexes display unique species with distinctive Ag2Te2 cores and a combination of bridging and terminal TeP(iPr)3 ligands.
Less is more: from inorganic-phosphate to organophosphate directed anionocages
Authors: Sheng Xinsong , Yang Ying , Jia Chuandong
Published: August 2023

The paradigm shift from inorganic phosphate to organophosphate directed anionocages dramatically simplified the ligand synthesis and enriched the functionalization possibilities, providing a proof of the design concept “Less is More”.
Selective N–N or N–S bond cleavage of 1-trifluoromethyl benzotriazoles enables divergent synthesis of 1,2,4-benzotriazines and benzotriazoles
Authors: Wang Xinyuan , Shan Yueyue , Mao Hui , Xiao Xiao , Wang Nengzhong , Lv Xin , Zhou Liejin
Published: August 2023

A variety of 1,2,4-benzotriazines and benzotriazoles are conveniently and divergently synthesized via selective N–N or N–S bond cleavage of 1-trifluoromethyl benzotriazoles under different basic conditions.
Nickel-catalyzed cross-coupling of N-acyl benzotriazoles with oxiranes and oxetanes for the synthesis of β-haloethyl and γ-halopropyl esters
Authors: Bai Jin , Qu Erdong , Li Shangzhang , Zhu Riqian , Deng Qinyue , Li Wanfang
Published: August 2023

Ni-catalyzed cross-coupling of N-acyl benzotriazoles, oxiranes/oxetanes and trimethylsilyl halides afforded β- and γ-halo esters with good yields and wide substrate scope. Preliminary mechanistic studies point to a σ-bond metathesis pathway.
Bis(thienyl)ethenes with α-methoxymethyl groups. Syntheses, spectroscopic Hammett plots, and stabilities in PMMA films
Authors: Weingartz Thea , Nagorny Sven , Adams Jörg , Eitzeroth André , Schewe Marvin , Rembe Christian , Schmidt Andreas
Published: August 2023

MOM-substituted BTEs are described, applied to the spectroscopic Hammett equation and examined with respect to their photoresistency.
Mechanical codes of chemical-scale specificity in DNA motifs
Authors: Chen Yi-Tsao , Yang Haw , Chu Jhih-Wei
Published: August 2023

Could genomic DNA have sequence specificity in its chemical-scale mechanical properties? We approach this question using statistical machine learning to determine the rigidity between DNA chemical moieties.
Interrogating bioinspired ESIPT/PCET-based Ir(iii)-complexes as organelle-targeted phototherapeutics: a redox-catalysis under hypoxia to evoke synergistic ferroptosis/apoptosis
Authors: Shee Maniklal , Zhang Dan , Banerjee Moumita , Roy Samrat , Pal Bipul , Anoop Anakuthil , Yuan Youyong , Singh N. D. Pradeep
Published: August 2023

We investigated organelle-targeted bioinspired ESIPT/PCET-based Ir(iii)-complexes as promising (photo)chemotherapeutic lead compounds which actively operational in redox-catalysis under hypoxia to evoke synergistic ferroptosis/apoptosis.
Supramolecular axial chirality in [N–I–N]+-type halogen bonded dimers
Authors: An Shuguo , Hao Aiyou , Xing Pengyao
Published: August 2023

The [N–I–N]+-type halogen bond performed as a powerful tool for the construction of functional axial chiral compounds, enriching the toolbox for asymmetric synthesis and optics.
Correction: Structural tuning of organoruthenium compounds allows oxidative switch to control ER stress pathways and bypass multidrug resistance
Authors: Chow Mun Juinn , Licona Cynthia , Pastorin Giorgia , Mellitzer Georg , Ang Wee Han , Gaiddon Christian
Published: August 2023

Correction for ‘Structural tuning of organoruthenium compounds allows oxidative switch to control ER stress pathways and bypass multidrug resistance’ by Mun Juinn Chow et al., Chem. Sci., 2016, 7, 4117–4124, https://doi.org/10.1039/C6SC00268D.
Modulated interfacial electron transfer of MXene-Tx@CoS for the oxygen evolution reaction
Authors: Du Xinying , Zhang Xiaoyun , Zhu Shifan , Xu Yixue , Wang Yuqiao
Published: August 2023

MXenes with various surface terminal groups (MXene-Tx) loaded on CoS were constructed for oxygen evolution. The improvement of activity depends on optimized O-intermediate adsorption by modulation of interfacial electron transfer of MXene-Tx@CoS.
An in situ formed lithiophilic Ni3S2@Ni current collector for stable lithium metal batteries
Authors: Qi Mengpei , Xie Lingling , Han Qing , Qiu Xuejing , Katiyar Swati , Liu Xinhua , Yang Shichun , Zhu Limin , Wu Xianyong , Chen Libao , Cao Xiaoyu
Published: August 2023

Attracting immense interest as a lithium storage material, lithium metal anodes boast the highest specific capacity of 3860 mA h g−1 and lowest redox potential of −3.04 V, compared to the standard hydrogen electrode, and sustainability.
Fundamental tools for managing sustainability
Authors: Sutton Mike
Published: August 2023

Mike Sutton considers the pros and cons of using Life Cycle Analysis to assess the sustainability of complex systems.
Development and application of a sensitive feeding assay for daphnids based on the ingestion of fluorescent microparticles
Authors: Giannouli Maria , Panagiotidis Konstantinos , Rochfort Keith D. , Grintzalis Konstantinos
Published: August 2023

The toxicological hazard and safety assessment of chemical substances relies on the outcome of animal testing involving phenotypic tests such as feeding.
Close-in ice lines and the super-stellar C/O ratio in discs around very low-mass stars
Authors: Mah Jingyi , Bitsch Bertram , Pascucci Ilaria , Henning Thomas
Published: August 2023

The origin of the elevated C/O ratios in discs around late M dwarfs compared to discs around solar-type stars is not well understood. Here we endeavour to reproduce the observed differences in the disc C/O ratios as a function of stellar mass using a viscosity-driven disc evolution model and study the corresponding atmospheric composition of planets that grow inside the water-ice line in these discs. We carried out simulations using a coupled disc evolution and planet formation code that includes pebble drift and evaporation. We used a chemical partitioning model for the dust composition in the disc midplane. Inside the water-ice line, the disc’s C/O ratio initially decreases to sub-stellar due to the inward drift and evaporation of water-ice-rich pebbles before increasing again to super-stellar values due to the inward diffusion of carbon-rich vapour. We show that this process is more efficient for very low-mass stars compared to solar-type stars due to the closer-in ice lines and shorter disc viscous timescales. In high-viscosity discs, the transition from sub-stellar to super-stellar takes place faster due to the fast inward advection of carbon-rich gas. Our results suggest that planets accreting their atmospheres early (when the disc C/O is still sub-stellar) will have low atmospheric C/O ratios, while planets that accrete their atmospheres late (when the disc C/O has become super-stellar) can obtain high C/O ratios. Our model predictions are consistent with observations, under the assumption that all stars have the same metallicity and chemical composition, and that the vertical mixing timescales in the inner disc are much shorter than the radial advection timescales. This further strengthens the case for considering stellar abundances alongside disc evolution in future studies that aim to link planet (atmospheric) composition to disc composition.
Topology-based multi-jammer localization in wireless networks
Authors: Liu Hongbo , Chen Yingying , Xu Wenyuan , Liu Zhenhua , Su Yuchen
Published: August 2023

Jamming attacks and unintentional radio interference are some of the most urgent threats harming the dependability of wireless communication and endangering the successful deployment of pervasive applications built on top of wireless networks. Unlike the traditional approaches focusing on developing jamming defense techniques without considering the location of jammers, we take a different viewpoint that the jammers’ position should be identified and exploited for building a wide range of defense strategies to alleviate jamming. In this paper, we address the problem of localizing multiple jamming attackers coexisting in wireless networks by leveraging the network topology changes caused by jamming. We systematically analyze the jamming effects and develop a framework that can partition network topology into clusters and can successfully estimate the positions of multiple jammers even when their jamming areas are overlapping. Our experiments on a multi-hop network setup using MicaZ sensor nodes validate the feasibility of real-time collection of network topology changes under jamming and our extensive simulation results demonstrate that our approach is highly effective in localizing multiple attackers with or without the prior knowledge of the order that the jammers are turned on.
Intraoperative periprothetische Femurfrakturen – wann reicht die Cerclage?
Authors: Hardt Sebastian , Giebel Gregor , Hube Robert
Published: August 2023

Hintergrund und Planung Intraoperative periprothetische Femurfrakturen zählen zu den schwerwiegenden Komplikationen sowohl in der Primär- als auch in der Revisionsendoprothetik. Häufig werden diese trotz intraoperativer radiologischer Kontrollen nicht erkannt. Da bei einer unbemerkten intraoperativ entstandenen Fraktur häufig ein Revisionseingriff notwendig wird, welcher in der Literatur mit erhöhten Mortalitätsraten einhergeht, ist die intraoperative Diagnose und entsprechend direkte und suffiziente Versorgung entscheidend. Es existieren patienten-, operations- sowie implantatspezifische Risikofaktoren, welche die Wahrscheinlichkeit für intraoperative Frakturen erhöhen. Zu den wichtigsten Risikofaktoren auf Patientenseite zählen Alter, Geschlecht sowie verschiedene Vorerkrankungen wie bspw. Osteoporose oder Erkrankungen aus dem rheumatischen Formenkreis. Die wichtigsten operations- und implantatspezifischen Risikofaktoren sind ein minimalinvasiver Zugang sowie eine
zementfreie Press-fit-Verankerung. Die Klassifikation der intraoperativen periprothetischen Femurfrakturen kann mit der Vancouver-Klassifikation oder der modifizierten Mallory-Klassifikation erfolgen. Anhand dieser können Therapieempfehlung abgeleitet werden. Zur Frakturversorgung stehen unterschiedliche Strategien zur Verfügung.

Therapie Generell gilt, dass bei einem stabilen Schaft eine Osteosynthese mit Erhalt des Implantates erfolgen kann. Diese kann in der Mehrzahl der Fälle bei nicht dislozierten Frakturen mittels Cerclagen erfolgen. Bei einer instabilen Situation kann aber auch ein Wechsel des Schaftes notwendig werden. Bei höhergradigen Frakturen kann eine Stabilisierung mittels Plattenosteosynthese erforderlich werden. Ziel ist es, eine möglichst anatomische Reposition zur bestmöglichen knöchernen Konsolidierung mit einer suffizienten Implantatstabilität und Wiederherstellung der Biomechanik zu erreichen.
Reproduktive Gesundheit und ihre Versorgung im Anthropozän:
Auswirkung der Klimakatastrophe auf die maternale, prä- und neonatale
Gesundheit und Implikationen für die Hebammenarbeit
Authors: Dresen Franziska
Published: August 2023

Es steht die These von einem neuen Erdzeitalter, dem Anthropozän, im
Raum. Der Mensch als geologischer Faktor formt maßgeblich die
Lebensbedingungen auf der Erde – und damit auch die eigene
Lebensgrundlage, die Grundlage menschlicher Gesundheit und Existenz. Die
anthropogene Klimakrise stellt inzwischen die größte Bedrohung
für die Gesundheit im 21. Jahrhundert dar. Hebammen sind wichtige
Akteure im Gesundheitssystem und können einen bedeutsamen Beitrag
für die planetare Gesundheit und so auch auf diesem Wege für die
Gesundheit von Schwangeren und Neugeborenen leisten.
Einflussnahme des Diabetes mellitus auf glaukomrelevante
Untersuchungsergebnisse beim primären Offenwinkelglaukom
Authors: Erb Carl , Erb Clivia , Kazakov Avaz , Umetalieva Maana , Weisser Burkhard
Published: August 2023

Das primäre Offenwinkelglaukom (POWG) wird nicht mehr als eine isolierte
augendruckabhängige Optikusneuropathie, sondern als eine neurodegenerative Erkrankung
angesehen, bei der der oxidative Stress und die Neuroinflammation im Vordergrund stehen.
Diese Prozesse können durch zusätzlich vorliegende Systemerkrankungen verstärkt werden. Am
häufigsten kommen eine arterielle Hypertonie, Dyslipidämien und ein Diabetes mellitus vor.
Anhand des Diabetes mellitus soll gezeigt werden, wie weitreichend eine derartige
Systemerkrankung sowohl auf die funktionellen als auch auf die strukturellen
diagnostischen Methoden für das POWG einen Einfluss nehmen kann. Diese Kenntnisse sind
essenziell, da durch diese Interferenzen Fehlinterpretationen zum POWG denkbar sind, die
auch Therapieentscheidungen betreffen können.
Framework for action – Handlungs-optionen nach dem
(Mit-)Erleben geburtshilflicher Gewalt
Authors: Schöne Bettina
Published: August 2023

Welche Ebenen und Ausprägungen geburtshilflicher Gewalt unterscheidet man
und welche Möglichkeiten bestehen, um mit Vorfällen dieser Art
umzugehen? Die Autorin des vorliegenden Artikels gibt einen Überblick
über ein Thema, das immer noch viel zu wenig Beachtung findet. Dabei
stellt sie auch dar, welche Auswirkungen es auf werdende Hebammen (WeHen) haben
kann, wenn sie diskriminierenden oder gewaltsamen Umgang mit Gebärenden
miterleben. Die Ergebnisse hierzu stammen aus einer deutschlandweiten
Querschnittsstudie im Rahmen des Europäischen Master-Studiengangs
„Midwifery“ an der Medizinischen Hochschule Hannover, die dieses
Jahr veröffentlicht wurden. Es handelt sich um Auswirkungen
geburtshilflicher Gewalt, die „uns“ unmittelbar betreffen, da
ihre Konsequenzen in der späteren Berufsausübung sichtbar
werden.
Patient-Reported Long-Term Outcome of Balloon Pulmonary Angioplasty for Inoperable CTEPH
Authors: Wiedenroth Christoph B. , Steinhaus Kristin , Rolf Andreas , Breithecker Andreas , Adameit Miriam S. D. , Kriechbaum Steffen D. , Haas Moritz , Roller Fritz , Hamm Christian W. , Ghofrani H.-Ardeschir , Mayer Eckhard , Guth Stefan , Liebetrau Christoph
Published: August 2023

Background Balloon pulmonary angioplasty (BPA) is a promising interventional treatment for inoperable chronic thromboembolic pulmonary hypertension (CTEPH). Evidence in favor of BPA is growing, but long-term data remain scarce. The Cambridge Pulmonary Hypertension Outcome Review (CAMPHOR) is validated for the assessment of patients with pulmonary hypertension within three domains: symptoms, activity, and quality of life (QoL). The aim of the present study was to evaluate the long-term effects of BPA on these domains in patients with inoperable CTEPH.

Methods Between March 2014 and August 2019, technically inoperable patients with target lesions for BPA were included in this prospective, observational study. CAMPHOR scores were compared between baseline (before the first BPA) and 6 months after the last intervention and also for scores assessed at annual follow-ups.

Results A total of 152 patients had completed a full series of BPA interventions and a 28 (interquartile range [IQR]: 26–32) week follow-up. Further follow-up assessments including the CAMPHOR score were performed 96 (IQR: 70–117) weeks, 178 (IQR: 156–200) weeks, and 250 (IQR: 237–275) weeks after the last intervention. From baseline to the last follow-up, CAMPHOR scores for symptoms, activity, and QoL improved from 9 (IQR: 6–14) to 3 (IQR: 0–9) (p < 0.001), 8 (IQR: 5–12) to 4 (IQR: 2–8) (p < 0.001), and 5 (IQR: 2–9) to 1 (IQR: 0–5) (p < 0.001).

Conclusion BPA leads to long-lasting, significant improvement of symptoms, physical capacity, and QoL in inoperable CTEPH patients.
Benjamin Zephaniah’s dub poetry and its appeal to children: an ecocritical reading
Authors: Alghanem Alanoud Abdulaziz
Published: August 2023

Dub poetry is a form of performance poetry that originated with Black poets in Jamaica, Britain, and Canada. It is accompanied by rhythmical accentuation and gesticulation while performing in front of the audience. This study analyses the children’s dub poetry of the contemporary Black British poet Benjamin Zephaniah to highlight the unique characteristics that make his poetry more appealing to children. This is accomplished through an ecocritical reading of his early children’s poems, which highlight his biocentric attitude and revolutionary stance against any form of anthropocentrism. The study demonstrates that Zephaniah is an eco-writer who has an effective method of engaging children with his poetry in both its forms, oral and printed, through his performative techniques, rhetorical strategies, humorous style, and serious cosmopolitan topics in the belief that poetry is political and poets should be activists.
Outsourcing in Africa: How do the interactions between providers, multinationals, and the state lead to the evolution of the BPO industry?
Authors: Larsen Marcus M. , Mkalama Ben , Mol Michael J.
Published: August 2023

We explore the evolution of Africa’s business process outsourcing (BPO) industry. In so doing, we seek to derive policy and managerial implications on how African suppliers can grow and become more attractive to foreign multinational corporations (MNCs). We discuss insights from the literature on (BPO) clusters and how these evolve. Our conceptual arguments are supported by a case study of the evolution of the Kenyan BPO cluster through three broad stages: embryonic, early, and developmental. We argue that this evolution has been hampered by factors including the small and sometimes informal nature of local suppliers, the reluctance of foreign multinationals to make long-term commitments, and the intermittent devotion by the Kenyan government to supporting BPO clusters. Accordingly, we suggest direct and indirect policy initiatives to grow the industry toward a more mature stage, increase knowledge spillovers and formalization levels, and improve working conditions.
Sub-GHz resolution line-by-line pulse shaper for driving superconducting circuits
Authors: Lee Dahyeon , Nakamura Takuma , Metcalf Andrew J. , Flowers-Jacobs Nathan E. , Fox Anna E. , Dresselhaus Paul D. , Quinlan Franklyn
Published: August 2023

We demonstrate a sub-GHz resolution, fully programmable Fourier-domain pulse shaper capable of generating arbitrary optical pulse patterns for superconducting circuit platforms. This high resolution allows line-by-line pulse shaping of a 1 GHz-spaced comb, and the pulse shaper can accommodate an optical bandwidth as large as 1 THz, which represents the highest resolution programmable line-by-line pulse shaping to our knowledge. Linear optical sampling with a dual-comb system confirms independent control of 1 GHz-spaced optical lines, and the low phase noise of the pulse shaper is characterized. We apply the pulse shaper as an optical drive for an array of Josephson junctions operating at a temperature of 4 K, where cryogenic photodetection of pulse doublets with user-defined separation characterizes the Josephson junction response. Furthermore, we demonstrate a pulse-density modulation pattern of 4 ps duration optical pulses that can serve as the high bandwidth drive of a quantum-based Josephson arbitrary waveform synthesizer. By leveraging the exquisite control, large bandwidth, and low noise of photonics, this represents an important advance toward the realization of high power and high spectral purity AC voltage standards at gigahertz frequencies without requiring 100 GHz bandwidth driving electronics.
Generative pretrained autoregressive transformer graph neural network applied to the analysis and discovery of novel proteins
Authors: Buehler Markus J.
Published: August 2023

We report a flexible language-model-based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional architectures in a causal multi-headed graph mechanism, to realize a generative pretrained model. The model is applied to predict the secondary structure content (per-residue level and overall content), protein solubility, and sequencing tasks. Further trained on inverse tasks, the model is rendered capable of designing proteins with these properties as target features. The model is formulated as a general framework, completely prompt-based, and can be adapted for a variety of downstream tasks. We find that adding additional tasks yields emergent synergies that the model exploits in improving overall performance, beyond what would be possible by training a model on each dataset alone. Case studies are presented to validate the method, yielding protein designs specifically focused on structural materials, but also exploring the applicability in the design of soluble, antimicrobial biomaterials. While our model is trained to ultimately perform eight distinct tasks, with available datasets, it can be extended to solve additional problems. In a broader sense, this study illustrates a form of multiscale modeling that relates a set of ultimate building blocks (here, byte-level utf8 characters that define the nature of the physical system at hand) to complex output. This materiomic scheme captures complex emergent relationships between universal building block and resulting properties, via a synergizing learning capacity, to express a set of potentialities embedded in the knowledge used in training via the interplay of universality and diversity.

Significance statement: Predicting the properties of materials based on a flexible description of their structure, environment, or process, is a long-standing challenge in multiscale modeling. Our MaterioFormer language model, trained to solve forward and inverse tasks, incorporates a deep learning capacity through attention and graph strategies to yield a multimodal approach to model and design materials. Since our model is prompt-based and information is encoded consistently via byte-level utf8 tokenization, it can process diverse modalities of information, such as sequence data, description of tasks, and numbers, and offers a flexible workflow that integrates human intelligence and artificial intelligence. Autoregressive training, using pre-training against a large unlabeled dataset, allows for straightforward adjustment of specific objectives.
Coexistence of quantum spin Hall and magnetic states in zigzag bismuth nanoribbons
Authors: Naumov Ivan I. , Dev Pratibha
Published: August 2023

Chemical modifications and/or simple vertical stacking of disparate van der Waals layered crystals can be used as a materials design approach for creating novel phases of matter. Here, using ab initio computations, we demonstrate the realization of an unusual state in a bismuth nanoribbon decorated with nitrogen atoms along one of the edges. In this phase, the quantum spin Hall state on one edge of the nanoribbon coexists with the ferromagnetism on the other edge. Such a coexistence is made possible by the short-range nature of the exchange interactions on the magnetic edge. As a result, the quantum spin Hall state on the opposite edge of the nanoribbon does not feel the local breaking of time-reversal symmetry on the magnetic edge. While the edge with quantum spin Hall state exhibits the typical spin-helical texture associated with the state, the magnetic edge displays ±k-asymmetry due to the interplay of Rashba and exchange effects. The latter is also a half-metal and can generate a fully spin-polarized current. We demonstrate that this coexistence of states is robust and that it is exhibited even when the nitrogen-decorated nanoribbon is placed on a substrate. In addition, with a proof-of-principle heterostructure, composed of an undecorated bismuth nanoribbon on hexagonal boron nitride, we show that this mixture of states can potentially exist even without passivation with nitrogen-atoms. In the heterostructure, an unequal relaxation along the two edges of the nanoribbon is found to be responsible for the coexistence of two states.