bluuebunny/crossref_metadata_2025_split huggingface dataset:
A case of multiple organ injury resuscitated by collaboration of damage control surgery and interventional radiology in hybrid emergency room
Authors: Omoto Ryosuke , Umemura Yutaka , Kato Masanari , Nakahori Yasutaka , Fujimi Satoshi 
Published: January 2024

AbstractBackgroundHybrid emergency room systems, namely hybrid ER (HER), enable us to perform computed tomography (CT), surgery, and interventional radiology (IVR) without patient transfer. HER significantly shortened the time to CT after arrival and allowed us to achieve early intervention, resulting in reduced mortality from exsanguination in patients with severe blunt trauma.Case PresentationWe encountered a patient diagnosed with left common iliac artery occlusion and dissection caused by blunt traumatic compressive abdominal injury with transection of the small intestine, kidney, and adrenal and pelvic ring fractures. Although the patient experienced cardiopulmonary arrest (CPA) immediately after CT, we performed damage control surgery (DCS) and IVR after temporary aortic occlusion in the HER and resuscitated the patient.ConclusionThe present case, in which rapid diagnosis and intervention were performed and the patient was successfully resuscitated, supports the efficacy of the HER system for managing severe blunt trauma.
The Structural Role of N170 in Substrate‐Assisted Deacylation in KPC‐2 β‐Lactamase
Authors: Parwana Diksha , Gu Jing , Chen Shuang , Bethel Christopher R. , Marshall Emma , Hujer Andrea M. , Bonomo Robert A. , Haider Shozeb 
Published: January 2024

AbstractThe amino acid substitutions in Klebsiella pneumoniae carbapenemase 2 (KPC‐2) that have arisen in the clinic are observed to lead to the development of resistance to ceftazidime‐avibactam, a preferred treatment for KPC bearing Gram‐negative bacteria. Specific substitutions in the omega loop (R164‐D179) result in changes in the structure and function of the enzyme, leading to alterations in substrate specificity, decreased stability, and more recently observed, increased resistance to ceftazidime/avibactam. Using accelerated rare‐event sampling well‐tempered metadynamics simulations, we explored in detail the structural role of R164 and D179 variants that are described to confer ceftazidime/avibactam resistance. The buried conformation of D179 substitutions produce a pronounced structural disorder in the omega loop ‐ more than R164 mutants, where the crystallographic omega loop structure remains mostly intact. Our findings also reveal that the conformation of N170 plays an underappreciated role impacting drug binding and restricting deacylation. The results further support the hypothesis that KPC‐2 D179 variants employ substrate‐assisted catalysis for ceftazidime hydrolysis, involving the ring amine of the aminothiazole group to promote deacylation and catalytic turnover. Moreover, the shift in the WT conformation of N170 contributes to reduced deacylation and an altered spectrum of enzymatic activity.
Nanoarchitectonics with a Membrane‐Embedded Electron Shuttle Mimics the Bioenergy Anabolism of Mitochondria
Authors: Wang Tonghui , Fei Jinbo , Dong Zhenzhen , Yu Fanchen , Li Junbai 
Published: January 2024

AbstractEnhanced bioenergy anabolism through transmembrane redox reactions in artificial systems remains a great challenge. Here, we explore synthetic electron shuttle to activate transmembrane chemo‐enzymatic cascade reactions in a mitochondria‐like nanoarchitecture for augmenting bioenergy anabolism. In this nanoarchitecture, a dendritic mesoporous silica microparticle as inner compartment possesses higher load capacity of NADH as proton source and allows faster mass transfer. In addition, the outer compartment ATP synthase‐reconstituted proteoliposomes. Like natural enzymes in the mitochondrion respiratory chain, a small synthetic electron shuttle embedded in the lipid bilayer facilely mediates transmembrane redox reactions to convert NADH into NAD+ and a proton. These facilitate an enhanced outward proton gradient to drive ATP synthase to rotate for catalytic ATP synthesis with improved performance in a sustainable manner. This work opens a new avenue to achieve enhanced bioenergy anabolism by utilizing a synthetic electron shuttle and tuning inner nanostructures, holding great promise in wide‐range ATP‐powered bioapplications.
Radical Cation Salts of Hetera‐Buckybowls: Polar Crystals, Negative Thermal Expansion and Phase Transition
Authors: Wu Lingxi , Li Yecheng , Hua Xinqiang , Ye Lei , Yuan Chengshan , Liu Zitong , Zhang Hao‐Li , Shao Xiangfeng 
Published: January 2024

AbstractRadical cation salts of π‐conjugated polycycles are rich in physical properties. Herein, two kinds of hetera‐buckybowls, ethoxy‐substituted trithiasumanene (3SEt) and triselenasumanene (3SeEt), are synthesized as electron donors. Galvanostatic oxidation of them affords radical cation salts (3SEt)5(TTFMPB)3, (3SeEt)5(TTFMPB)3, (3SEt)4PMA, and (3SeEt)4PMA, where PMA is Keggin‐type phosphomolybdate and TTFMPB is tetrakis[3,5‐bis(trifluoromethyl)‐phenyl]borate. In these salts, 3SEt/3SeEt are partially charged and show distinct conformation change with the site charge and counter anions. In TTFMPB salts, (TTFMPB)− forms hexagonal channels that accommodate the packing columns of 3SEt/3SeEt. In particular, (3SEt)5(TTFMPB)3 adopts the R3c space group and is a polar crystal with the columns of 3SEt all in the up‐bowl direction. The PMA salts of 3SEt/3SeEt are polar crystals (C2 space group) with 3SEt/3SeEt being planar and forming columnar stacks. (3SeEt)4PMA shows a structural modulation below 200 K, namely, negative thermal expansion (NTE) of the unit cell volume and enlargement of the intermolecular distances between neighboring 3SeEt molecules. The four salts are semiconductors with an activation energy of 0.18–0.38 eV. The conductivity of (3SeEt)4PMA shows a reversible transition upon cooling and heating, in accordance to the NTE structural modulation. This work paves the way toward conducting materials based on hetera‐buckybowls.
Polar X−H Bond (X=O, S, N) Activation at a Cage Silanide
Authors: Benzan Lantigua Pamela Adienes , Lutz Martin , Moret Marc‐Etienne 
Published: January 2024

AbstractLow‐valent silicon compounds such as neutral silylenes display versatile reactivity for the activation of small molecules. In contrast, their anionic congeners silanides ([R3Si−]) have primarily been investigated for their nucleophilic reactivity. Here we show that incorporating a silanide center in a bicyclic cage structure allows for formal oxidative addition of polar element‐hydrogen bonds (RX−H, R=aromatic residue, X=O, S, NH). The resulting hydrosilicates were isolated and characterized structurally and spectroscopically. Density Functional Theory (DFT) calculations and experimental observations support an ionic mechanism for RX−H bond activation. Finally, the reactivity of the RS−H bond adduct was further investigated, revealing that it behaves as a Lewis pair upon facile heterolytic cleavage of the Si−S bond.
Channelrhodopsin‐2 Oligomerization in Cell Membrane Revealed by Photo‐Activated Localization Microscopy
Authors: Bestsennaia Ekaterina , Maslov Ivan , Balandin Taras , Alekseev Alexey , Yudenko Anna , Abu Shamseye Assalla , Zabelskii Dmitrii , Baumann Arnd , Catapano Claudia , Karathanasis Christos , Gordeliy Valentin , Heilemann Mike , Gensch Thomas , Borshchevskiy Valentin 
Published: January 2024

AbstractMicrobial rhodopsins are retinal membrane proteins that found a broad application in optogenetics. The oligomeric state of rhodopsins is important for their functionality and stability. Of particular interest is the oligomeric state in the cellular native membrane environment. Fluorescence microscopy provides powerful tools to determine the oligomeric state of membrane proteins directly in cells. Among these methods is quantitative photoactivated localization microscopy (qPALM) allowing the investigation of molecular organization at the level of single protein clusters. Here, we apply qPALM to investigate the oligomeric state of the first and most used optogenetic tool Channelrhodopsin‐2 (ChR2) in the plasma membrane of eukaryotic cells. ChR2 appeared predominantly as a dimer in the cell membrane and did not form higher oligomers. The disulfide bonds between Cys34 and Cys36 of adjacent ChR2 monomers were not required for dimer formation and mutations disrupting these bonds resulted in only partial monomerization of ChR2. The monomeric fraction increased when the total concentration of mutant ChR2 in the membrane was low. The dissociation constant was estimated for this partially monomerized mutant ChR2 as 2.2±0.9 proteins/μm2. Our findings are important for understanding the mechanistic basis of ChR2 activity as well as for improving existing and developing future optogenetic tools.
Nucleic Acid‐based Electrochemical Sensors Facilitate the Study of DNA Binding by Platinum (II)‐based Antineoplastics
Authors: Wu Yao , Arroyo‐Currás Netzahualcóyotl 
Published: January 2024

AbstractDNA crosslinking agents such as cisplatin and related platinum(II) analogs are effective drugs to treat solid tumors. However, these therapeutics can cause high toxicity in the body, and tumors can develop resistance to them. To develop less toxic and more effective DNA crosslinkers, medicinal chemists have focused on tuning the ligands in square planar platinum(II) complexes to modulate their bioavailability, targeted cell penetration, and DNA binding rates. Unfortunately, linking in vitro DNA binding capacity of DNA crosslinkers with their in vivo efficacy has proven challenging. Here we report an electrochemical biosensor strategy that allows the study of platinum(II)‐DNA binding in real time. Our biosensors contain a purine‐rich deoxynucleotide sequence, T6(AG)10, modified with a 5’ hexylthiol linker for easy self‐assembly onto gold electrodes. The 3’ terminus is functionalized with the redox reporter methylene blue. Electron transfer from methylene blue to the sensor is a function of platinum(II) compound concentration and reaction time. Using these biosensors, we resolve DNA binding mechanisms including monovalent and bivalent binding, as well as base stacking. Our approach can measure DNA binding kinetics in buffers and in 50 % serum, offering a single‐step, real‐time approach to screen therapeutic compounds during drug development.
Heterogeneous Photocatalytic Strategies for C(sp3)−H Activation
Authors: Chai Zhigang 
Published: January 2024

AbstractActivation of ubiquitous C(sp3)−H bonds is extremely attractive but remains a great challenge. Heterogeneous photocatalysis offers a promising and sustainable approach for C(sp3)−H activation and has been fast developing in the past decade. This Minireview focuses on mechanism and strategies for heterogeneous photocatalytic C(sp3)−H activation. After introducing mechanistic insights, heterogeneous photocatalytic strategies for C(sp3)−H activation including precise design of active sites, regulation of reactive radical species, improving charge separation and reactor innovations are discussed. In addition, recent advances in C(sp3)−H activation of hydrocarbons, alcohols, ethers, amines and amides by heterogeneous photocatalysis are summarized. Lastly, challenges and opportunities are outlined to encourage more efforts for the development of this exciting and promising field.
Artificial Homeostasis Systems Based on Feedback Reaction Networks: Design Principles and Future Promises
Authors: Ranganath Vinay Ambekar , Maity Indrajit 
Published: January 2024

AbstractFeedback‐controlled chemical reaction networks (FCRNs) are indispensable for various biological processes, such as cellular mechanisms, patterns, and signaling pathways. Through the intricate interplay of many feedback loops (FLs), FCRNs maintain a stable internal cellular environment. Currently, creating minimalistic synthetic cells is the long‐term objective of systems chemistry, which is motivated by such natural integrity. The design, kinetic optimization, and analysis of FCRNs to exhibit functions akin to those of a cell still pose significant challenges. Indeed, reaching synthetic homeostasis is essential for engineering synthetic cell components. However, maintaining homeostasis in artificial systems against various agitations is a difficult task. Several biological events can provide us with guidelines for a conceptual understanding of homeostasis, which can be further applicable in designing artificial synthetic systems. In this regard, we organize our review with artificial homeostasis systems driven by FCRNs at different length scales, including homogeneous, compartmentalized, and soft material systems. First, we stretch a quick overview of FCRNs in different molecular and supramolecular systems, which are the essential toolbox for engineering different nonlinear functions and homeostatic systems. Moreover, the existing history of synthetic homeostasis in chemical and material systems and their advanced functions with self‐correcting, and regulating properties are also emphasized.
Act of faith versus voluntary reciprocation: Asymmetric commitments in exchange relationships
Authors: Liu Wendy 
Published: January 2024

AbstractFinancial payments take place in a wide variety of contexts. Expanding on a range of alternative forms of payments outside the common purchase of products and services at a price, this present article focuses on one dimension by which payments differ, namely, whether the payments take place in an exchange with mutual versus unilateral commitment between the buyer and the seller. This framework takes into account the timing and nature of commitments buyers and sellers make in an exchange, thereby further revealing the psychology underlying people's decisions to pay. In particular, the party that is unilaterally committed in an exchange relationship engages in “acts of faith”, whereas the party that is uncommitted engages in decisions of “voluntary reciprocation”.
Blended learning in biochemistry: The development of pre‐class and post‐class learning aids for electron transport chain and oxidative phosphorylation
Authors: Lee Rebecca K. Y. , Ng Bernard Y. N. , Chen Daisy M. H. 
Published: January 2024

AbstractElectron transport chain and oxidative phosphorylation are always a challenging topic for students studying metabolism. We had adopted blended learning in metabolism teaching and evaluated the learning experiences of students. In this project, a pre‐class learning aid the Story Mode and a post‐class learning aid the Revision Mode in the Powerland was developed that facilitated students learning electron transport chain and oxidative phosphorylation. In the Story Mode, pathways were presented by short animations and simplified diagram that allowed students to understand basic concepts and recall simple facts of the topic. Students were asked to watch the animations before class to acquire lower level of cognitive learning first, and this facilitated students in understanding more complicated concepts later on during class. Another challenge that students faced was that they were especially weak at integrating metabolic pathways and understand the relationships between these pathways. A metro map was designed in the Revision Mode that aided students in knowledge integration, and the functions of biomolecules were summarized in flashcards that helped students in revising the concepts. This interactive self‐learning tool was packaged as a courseware using the Articulate Storyline.
Numerical Investigation of Cyclone Separators: Physical Mechanisms and Theoretical Algorithms
Authors: El‐Emam Mahmoud A. , Zhou Ling , Yasser Eman 
Published: January 2024

AbstractGas‐particle aero‐type cyclones have revolutionized biochemical processes, engineering industries, and environmental pollution protection by effectively separating particles from gas. These devices rely on gravitational energy and centrifugal force to dissipate particle phase energy, but achieving optimal energy efficiency while minimizing pressure drop remains challenging. This has led to the development of various cyclone designs in commercial industries, each with unique energy efficiency characteristics. The intricate gas‐particle flow inside cyclones is a critical issue impacted by cyclone geometry, operating conditions, and media parameters. Advanced numerical simulations have been employed to understand this complex flow pattern better, offering researchers valuable insights into the mechanisms of different cyclone separators. This comprehensive review explores the available numerical methods in the literature on cyclones and their corresponding validations. Computational numerical modeling is a promising technique for predicting cyclone energy efficiency, gas‐particle behavior, and overall performance. This investigation delves into the progress and numerical forms of gas‐particle flow cyclones, examining how different parameters impact cyclone performance and flow patterns within the two‐phase flow. The future developments and challenges that may further promote the development of aero‐type cyclone separators, providing theory and engineering support for future cyclone designs, are also covered. As a result, it can confidently be reported that aero‐type cyclone separators remain a critical component in various industrial sectors, offering energy‐efficient solutions for mitigating environmental pollutants and gas‐particle separation systems. With continued development and research, these devices will undoubtedly shape the future of energy processes and engineering industries, ushering in a new era of sustainability and efficiency.
Lipopolysaccharide‐mediated ATP signaling regulates interleukin‐6 mRNA expression via the P2‐purinoceptor in human dental pulp cells
Authors: Orimoto Ai , Kitamura Chiaki , Ono Kentaro 
Published: January 2024

AbstractDental pulp cells play a crucial role in maintaining the balance of the pulp tissue. They actively respond to bacterial inflammation by producing proinflammatory cytokines, particularly interleukin‐6 (IL‐6). While many cell types release adenosine triphosphate (ATP) in response to various stimuli, the mechanisms and significance of ATP release in dental pulp cells under inflammatory conditions are not well understood. This study aimed to investigate ATP release and its relationship with IL‐6 during the inflammatory response in immortalized human dental pulp stem cells (hDPSC‐K4DT) following lipopolysaccharide (LPS) stimulation. We found that hDPSC‐K4DT cells released ATP extracellularly when exposed to LPS concentrations above 10 μg/mL. ATP release was exclusively attenuated by N‐ethylmaleimide, whereas other inhibitors, including clodronic acid (a vesicular nucleotide transporter inhibitor), probenecid (a selective pannexin‐1 channel inhibitor), meclofenamic acid (a selective connexin 43 inhibitor), suramin (a nonspecific P2 receptor inhibitor), and KN‐62 (a specific P2X7 antagonist), did not exhibit any effect. Additionally, LPS increased IL‐6 mRNA expression, which was mitigated by the ATPase apyrase enzyme, N‐ethylmaleimide, and suramin, but not by KN‐62. Moreover, exogenous ATP induced IL‐6 mRNA expression, whereas ATPase apyrase, N‐ethylmaleimide, and suramin, but not KN‐62, diminished ATP‐induced IL‐6 mRNA expression. Overall, our findings suggest that LPS‐induced ATP release stimulates the IL‐6 pathway through P2‐purinoceptor, indicating that ATP may function as an anti‐inflammatory signal, contributing to the maintenance of dental pulp homeostasis.
The role of exo‐miRNA in diagnosis and treatment of cancers, focusing on effective miRNAs in colorectal cancer
Authors: Kzar Al‐Shukri Hamzah H. , Abdul‐Jabbar Ali Sana , Al‐Akkam Karam Akram , Hjazi Ahmed , Rasulova Irodakhon , Mustafa Yasser Fakri , Al‐Saidi Dahlia N. , Alasheqi Mohammed Qasim , Alawadi Ahmed , Alsaalamy Ali 
Published: January 2024

AbstractSmall extracellular (EV) particles known as exosomes are released by a variety of cell types, including immune system cells, stem cells, and tumor cells. They are regarded as a subgroup of EVs and have a diameter that ranges from 30 to 150 nm. Proteins, lipids, nucleic acids (including RNA and DNA), and different bioactive compounds are among the wide range of biomolecules that make up the cargo of exosomes. Exosomes are crucial for intercellular communication because they let cells share information and signaling chemicals. They are involved in various physiological and pathological processes, including immune responses, tissue regeneration, cancer progression, and neurodegenerative diseases. In conclusion, it is essential to continue research into exosome‐based cancer medicines to advance understanding, improve treatment plans, create personalized tactics, ensure safety, and speed up clinical translation.
A Procedure for Rational Probe Liquids Selection to Determine Hansen Solubility Parameters
Authors: Amin Amin Said , Lerche Dietmar , Odungat Ahammed Suhail , Boehm Sven Uwe , Koch Thomas , Özcan Fatih , Segets Doris 
Published: January 2024

AbstractHansen Solubility Parameters (HSP), viewed in the context of similarity whenever dispersion is focused, offer valuable insights into the surface characteristics of nanoparticles. However, existing methods for determining HSP via the sedimentation of nanoparticles require multiple probe liquids, resulting in time‐consuming, costly experiments with potential health risks. To address this, we developed a two‐step strategy that enables a systematic selection of liquids. The key element of the approach is to first identify the rough location of the Hansen sphere in the three‐dimensional Hansen space using a well‐chosen set of probe liquids of different polarities and chemical structures. Then, depending on the outcome of the first step, a particular choice of liquids is made for the final HSP determination. Taken together, the introduced procedure reduces the amount of required liquids for experiments from currently more than ten to a maximum of seven chosen based on a well‐defined, coherent methodology. Validation was performed on carbon black, non‐pigmentary nano‐scale titania, silicon/carbon composites, and lanthanum cobaltite particles, i. e., relevant materials that are commonly utilized in fuel cells, batteries, cyclohexene oxidation, catalytic combustion, photocatalysis, and heterogeneous Fenton reactions. The study showcases the potential to save time, costs, and efficiently determine HSP values in a comparable manner.
Experimental and Theoretical Studies on the Reactions of Aliphatic Imines with Isocyanates
Authors: Cotter Etienne , Pultar Felix , Riniker Sereina , Altmann Karl‐Heinz 
Published: January 2024

AbstractIn the context of a project aiming at the replacement of the 3‐substituted β‐lactam ring in classical β‐lactam antibiotics by an N(3)‐acyl‐1,3‐diazetidinone moiety, we have investigated the reaction of isocyanates with imines derived from allyl glycinate and differently substituted propionaldehydes. Imines of aromatic aldehydes with anilines have been reported to react with acyl isocyanates to give 1,3‐diazetidinones or 2,3‐dihydro‐4H‐1,3,5‐oxadiazin‐4‐ones, via [2+2] or [4+2] cycloaddition, respectively. However, neither of these products was formed with imines derived from allyl glycinate and 2‐(mono)methyl propionaldehydes. α,α‐Dimethylation of the imine enabled the [4+2] cycloaddition pathway, but the desired 1,3‐diazetidinone products were not observed. Surprisingly, the imines obtained from thioesters of 2,2‐dimethyl 3‐oxo propionic acid reacted with aryl isocyanates or with benzyl isocyanate to give 5,5‐dimethyl‐2,4‐dioxo‐6‐(aryl‐/alkylthio)tetrahydropyrimidines, via thiol displacement and re‐addition to a putative six‐membered iminium intermediate. These experimental results obtained for the reactions could be rationalized by DFT calculations. In addition, we have shown that N(3)‐acyl‐1,3‐diazetidinone and 2,3‐dihydro‐4H‐1,3,5‐oxadiazin‐4‐one products can be distinguished based on experimental IR data in combination with theoretical reference spectra employing the IR spectra alignment (IRSA) algorithm. This discrimination was not possible by means of 1H, 13C, or 15N NMR spectroscopy