bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enantiodivergent Sulfoxidation Catalyzed by a Photoswitchable Iron Salen Phosphate Complex
Authors: Gilissen Pieter J. , Chen Xiaofei , De Graaf Joep , Tinnemans Paul , Feringa Ben L. , Elemans Johannes A. A. W. , Nolte Roeland J. M. 
Published: February 2023

AbstractHere we describe a photoswitchable iron(III) salen phosphate catalyst, which is able to catalyze the enantiodivergent oxidation of prochiral aryl alkyl sulfides to chiral aryl alkyl sulfoxides. The stable (S)‐axial isomer of the catalyst produced enantioenriched sulfoxides with the (R)‐configuration in up to 75 % e.e., whereas the photoisomerized metastable (R)‐axial isomer of the catalyst favored the formation of (S)‐sulfoxides in up to 43 % e.e. The maximum Δe.e. value obtained in the enantiodivergent sulfoxidation was 118 %, which is identical to the maximum Δe.e. value that was measured in the enantiodivergent epoxidation of alkenes by a related recently described Mn1 catalyst. This iron‐based catalyst broadens the scope of photoswitchable enantiodivergent catalysts and may be used in the future to develop a photoswitchable catalytic system that can write digital information on a polymer chain in the form chiral sulfoxide functions.
Automated Glycan Assembly of Mycobacterial Hexaarabinofuranoside and Docosasaccharide Arabinan (Araf23) Motifs found on Mycobacterium tuberculosis
Authors: Murthy Sabbavarapu Narayana , Seeberger Peter H. 
Published: February 2023

AbstractMycobacteria are covered in a thick layer of different polysaccharides that helps to avert the innate immune response. Lipoarabinomannan (LAM) and arabinogalactan (AG) are ubiquitously contained in these envelopes, and rapid access to defined oligo‐ and polysaccharides is essential to elucidate their structural and biological roles. Arabinofuranose (Araf) residues in LAM and AG are connected either via α‐1,2‐trans linkages that are synthetically straightforward to install or the more challenging β‐(1,2‐cis) linkages. Herein, it was demonstrated that automated glycan assembly (AGA) can be used to quickly prepare 1,2‐cis‐β‐Araf as illustrated by the assembly of a highly branched arabinan hexasaccharide and a docosasaccharide arabinan (Araf23) motif.
Redox‐Active Lewis Pairs Yield Diradicaloids and Enable Modular Control of the Diradical Character
Authors: Maskey Rezisha , Thorwart Thaddäus , Ebel Simone F. , Jocic Angelina , Hartmann Deborah , Greb Lutz 
Published: February 2023

AbstractStable metal‐free diradicaloids are fascinating compounds, typically based on covalent polycyclic or nitrogen‐containing π‐conjugated frameworks. Unfortunately, their preparation and the modulation of their diradical character require substantial synthetic efforts. The present work introduces a synthetic approach to diradicaloids by the ease and modularity of Lewis pair formation. Binding redox‐active bis(catecholato)silane Lewis acids to ditopic tetraoxolene Lewis bases yields adducts with varying spin ground states. Computational analyses disclose that the diradical character increases with the electron donor ability of the catechols and the electron accepting ability of the tetraoxolene. Hence, this protocol grants access to diradicaloids with rationally adjustable diradical character of high potential for numerous applications in a single step.
Resilient durch die nächste industrielle Krise
Authors: Woppowa Ljuba 
Published: February 2023

AbstractAnlässlich der Jahrestagung der Dechema/VDI‐Fachsektion Prozess‐, Apparate‐, Anlagentechnik (PAAT) diskutierten hochrangige Vertreter aus Industrie und Hochschule mit dem Auditorium die Chancen und Möglichkeiten, wie sich Industrie, Gesellschaft und Personen resilient gegen Krisen wappnen können.
Sauberes Wasser und sichere Prozesse durch Filtrationstechnik
Authors: Schaub Marius 
Published: February 2023

AbstractFür einen energieeffizienten und gleichzeitig ausfallsicheren Betrieb von KLäranlagen ist verlässliche Technik in allen Reinigungsstufen und den Sekundärprozessen unerlässlich. Dazu zählt auch die Filtration als Qualitätsgarant für die Aufbereitung. Zuverlässige Produkte und innovative Verfahren für die Wasser‐ und Abwasserfiltration zeigen Aussteller und Präsentationen auf der Filtech 2023. Die Kombination aus Messe und Kongress findet vom 14. bis 16. Februar 2023 in Köln statt.
Filtertechnik für den Umweltschutz
Authors: Krause Peter 
Published: February 2023

AbstractIm Umweltschutzprojekt Cleandanube wurde mithilfe von Filtertechnik der Anteil an Mikroplastik über den gesamten Donauverlauf dokumentiert. Für die zentralen Aufgaben, Abfall zu vermeiden und Ressourcen zu schonen hat Wolftechnik eine Tiefenfilterkerze mit 20 % Recyclinganteil aus Polypropylen entwickelt.
Granulärschlamm‐Prozess für die biologische Abwasserbehandlung
Authors: Huber Peter , Huijboom Marcel , Höfken Marcus 
Published: February 2023

AbstractSich mit dem Sequencing‐Batch‐Reactor‐Verfahren (SBR) für die biologische Reinigung kommunaler und industrieller Abwässer zu beschäftigen, kann sich lohnen. Batch‐Verfahren haben die Vorteile, dass das Reaktorverhalten definiert ist, die Randbedingungen konstant bleiben und unvorhergesehene Ereignisse während des Behandlungszyklus ausgeschlossen werden können.
Alarmstufe Rot?
Authors: Brügel Silke 
Published: February 2023

AbstractAlarmmanagement hat sich im Anlagenbau zu einem wichtigen Tool entwickelt, das den Betreibern im Idealfall hilft, Zeit und Kosten zu sparen, und die Effizienz im täglichen Betrieb chemischer Anlagen erhöhen kann. Denn es soll unnötige Alarmmeldungen vermeiden helfen und damit die Alarmflut für das Betriebspersonal reduzieren.
Erdbebensichere Chemieanlagen
Authors: Wirth Stefan 
Published: February 2023

AbstractDeutschland ist im Vergleich mit anderen Ländern seltener und weniger stark von Erdbeben betroffen. Aber auch Schwachbebengebiete sind nicht vor Schäden sicher, so dass auch hierzulande der Lastfall Erdbeben an bestimmten Chemie‐Standorten relevant ist. Durch die Einführung des neuen Erdbeben Eurocodes DIN EN 1998‐1/NA müssen die Gefahren in den Anlagen und deren Auswirkungen auf die Tragstrukturen, Einbauten und Versorgungsbauwerke neu bewertet werden.
Competition Between the Two σ‐Holes in the Formation of a Chalcogen Bond
Authors: Scheiner Steve 
Published: February 2023

AbstractA chalcogen atom Y contains two separate σ‐holes when in a R1YR2 molecular bonding pattern. Quantum chemical calculations consider competition between these two σ‐holes to engage in a chalcogen bond (ChB) with a NH3 base. R groups considered include F, Br, I, and tert‐butyl (tBu). Also examined is the situation where the Y lies within a chalcogenazole ring, where its neighbors are C and N. Both electron‐withdrawing substituents R1 and R2 act cooperatively to deepen the two σ‐holes, but the deeper of the two holes consistently lies opposite to the more electron‐withdrawing group, and is also favored to form a stronger ChB. The formation of two simultaneous ChBs in a triad requires the Y atom to act as double electron acceptor, and so anti‐cooperativity weakens each bond relative to the simple dyad. This effect is such that some of the shallower σ‐holes are unable to form a ChB at all when a base occupies the other site.
Solvent Dependence on Cooperative Vibrational Strong Coupling and Cavity Catalysis**
Authors: Singh Jaibir , Lather Jyoti , George Jino 
Published: February 2023

AbstractStrong light‐matter coupling offers a unique way to control chemical reactions at the molecular level. Here, we compare the solvent effect on an ester solvolysis process under cooperative vibrational strong coupling (VSC). Three reactants, para‐nitrophenylacetate, 3‐methyl‐para‐nitrophenylbenzoate, and bis‐(2, 4‐dinitrophenyl) oxalate are chosen to study the effect of VSC on the solvolysis reaction rates. Two solvents, ethyl acetate and cyclopentanone, are also considered to compare the cavity catalysis by coupling the C=O stretching band of the reactant and the solvent molecules to a Fabry‐Perot cavity mode. Interestingly, both solvents enhance the chemical reaction rate of para‐nitrophenylacetate and 3‐methyl‐para‐nitrophenylbenzoate under cooperative VSC conditions. However, the resonance effect is observed at different temperatures for different solvents, which is further confirmed by thermodynamic studies. Bis‐(2, 4‐dinitrophenyl) oxalate doesn′t respond to VSC in either of the solvent systems due to poor overlap of reactant and solvent C=O vibrational bands. Cavity detuning and other control experiments suggest that cooperative VSC of the solvent plays a crucial role in modifying the activation free‐energy of the reaction. These findings, along with other observations, cement the concept of polaritonic chemistry.
Inorganic Self‐assembly: Going Bio
Authors: Moreno‐Alcántar Guillermo 
Published: February 2023

AbstractThe use of self‐assembly for building complex functional structures is a current topic of interest in supramolecular chemistry. In this context, the use of biomolecule‐based building blocks has paved the way for the development of intracellular assemblies. Currently, the potential functionality of such assemblies in biomedical applications is being disclosed. On the other hand, the use of inorganic (metal‐based) building blocks is still in its infancy. The construction of inorganic self‐assemblies in‐bio is particularly challenging and demands great efforts to reach applications. However, the plethora of thinkable advantages related to the use of inorganic self‐assembly in living cells must fuel new discoveries in this area. This Concept reviews the current advances, perspectives, and challenges in inorganic self‐assembly in living systems.
Cycloaddition Reactions of Enamines
Authors: Efimov Ilya V. , Zhilyaev Dmitry I. , Kulikova Larisa N. , Voskressensky Leonid G. 
Published: February 2023

AbstractThis review includes information for around two last decades on cycloaddition reactions of enamines with various agents in order to build carbo‐ and heterocycles. In addition, the review presents organo‐catalytic reactions in which enamines are intermediate products generated in situ. This review covers the synthesis of four, five, six and eight‐membered carbocyclic compounds, as well as heterocycles as pyrroles, pyridines, etc.
The Role of Dethreading Process in Pseudorotaxanes and Rotaxanes towards Advanced Applications: Recent Examples
Authors: Saura‐Sanmartin Adrian 
Published: February 2023

AbstractRotaxanes are a type of mechanically interlocked molecules (MIMs), constituted by at least a thread surrounded by a wheel, which are widely employed in the research field of artificial molecular machines. Although applications retaining the integrity of the mechanical bond are usually reported, the dethreading of the components can be crucial to develop some advanced applications. Thus, different dethreading strategies have been reported, and advanced applications which require such a process have turned out to be suitable approaches towards machine‐like operation. This review article covers recent examples of applications of pseudorotaxanes and rotaxanes in which dethreading processes have a key role to accomplish the desired function.
Discovery of New Cytotoxic Aplaminone Derivatives from the Sea Hare Aplysia kurodai and Elucidation of Their Accumulation from Local Sea Algae through the Food Chain
Authors: Hioki Yusuke , Sato Tatsuya , Iwao Toyoki , Ikuma Junya , Kawamura Atsushi , Ohyoshi Takayuki , Tsunematsu Yuta , Kita Masaki 
Published: February 2023

AbstractThe shell‐less herbivorous marine mollusk (sea hare) Aplysia kurodai is known to contain a variety of bioactive substances. While these compounds have been thought to originate from sea algae or their associated microbes, most of their origin and acquisition pathways are still unclear. Six new cytotoxic aplaminone derivatives, bromodopamine‐terpenoid hybrid molecules, were isolated from A. kurodai. Among them, isoaplaminone had a reverse prenyl group at the C15 aliphatic chain, which is a rare structural feature from the viewpoint of terpenoid biosynthesis. Investigation for chemical components in A. kurodai and the sea algae collected at several different locations revealed that two major aplaminones were contained in the Laurencia complex species at specific sites. Our chemical and ecological studies provide new insights into the origin of marine alkaloid toxins and their dynamism through the food chain.
Understanding the European Green Deal: A narrative policy framework approach
Authors: Domorenok Ekaterina , Graziano Paolo 
Published: February 2023

AbstractThe 2008 global financial crisis, climate change, and, ultimately, the COVID pandemic have once again challenged the European Union's (EU) capacity to find effective policy solutions to common problems. The article investigates how the novel policy narrative underpinning the European Green Deal (EGD), a new EU growth strategy aimed at transforming the EU into a fair and prosperous society with no net greenhouse gas emissions, has evolved into concrete policy commitments. By combining the theoretical insights of the narrative policy framework and the assumptions of constructivist approaches to the study of politics, we focus on the relevance of strategic narratives for the understanding of power dynamics related to the approval of the EGD' center piece—the European Climate Law. Our findings show how, by effectively using legitimacy arguments, the European Commission and the Parliament managed to secure a swift approval of the Regulation.
Efficacy of vigabatrin in the treatment of infantile epileptic spasms syndrome: A systematic review and meta‐analysis
Authors: Xu Zhao , Gong Pan , Jiao Xianru , Niu Yue , Wu Ye , Zhang Yuehua , Chang Xingzhi , Yang Zhixian 
Published: February 2023

AbstractThis systematic review and meta‐analysis aimed to evaluate the efficacy of vigabatrin (VGB) in treating infantile epileptic spasms syndrome (IESS). Databases of PubMed, Embase, Web of Science, MEDLINE, and Cochrane Library were systematically searched. All the relevant randomized controlled trials (RCTs) and observational studies (OSs) of VGB for IESS were included and analyzed separately. The primary outcome was the cessation of epileptic spasms (ES). Five RCTs and nine OSs compared the efficacy of VGB vs hormonal monotherapy for IESS. Meta‐analysis of the five RCTs showed that hormonal monotherapy was significantly better than VGB monotherapy (OR = 0.37, 95% CI = 0.20‐0.67) for patients with new‐onset IESS. Meta‐analysis of the nine OSs agrees with the result from RCTs (OR = 0.61, 95% CI = 0.43‐0.85). VGB was more effective in patients with TSC than in those with other etiologies (five OSs, OR = 5.59, 95% CI = 2.17‐14.41). There was no significant difference in the efficiency of VGB combined with hormonal therapy vs hormonal monotherapy for IESS (two RCTs, OR = 0.75, 95% CI = 0.09‐6.45). Hormonal monotherapy is better than VGB monotherapy for non‐TSC‐associated IESS. But for patients with IESS due to TSC, VGB is the first choice. VGB combined with hormone therapy does not definitely increase ES control rates compared with that of hormonal monotherapy.
Primary NTRK‐rearranged spindle cell neoplasm of bone harboring an HMBOX1::NTRK3 gene fusion
Authors: Wang Zhe , Wang Jian 
Published: February 2023

AbstractThe majority of neurotrophic tyrosine receptor kinase (NTRK) rearranged neoplasms occur either in the superficial or deep soft tissues of extremities or trunk. Occasionally, it arises in visceral organs. However, its occurrence as a primary osseous tumor has not been documented thus far. Herein, we describe a unique case of an NTRK rearranged neoplasm that presented as a primary bony lesion. The tumor occurred in a 21‐year‐old woman who presented with an increasing pain in the right lower extremity. Radiologic examinations revealed a destructive lytic lesion located in the lower portion of the right femur. Histologically, the tumor was composed of haphazard fascicles of monomorphic spindle cells displaying mild nuclear atypia and rare mitotic activity. Immunohistochemically, the tumor cells showed focal staining of pan‐TRK and S100 protein. Fluorescence in situ hybridization analysis was performed with the utilization of break‐apart probes for NTRK1/NTRK2/NTRK3 genes. An NTRK3 rearrangement was identified. Subsequent next‐generation sequencing (RNA‐seq) revealed HMBOX1exon6::NTRK3exon 14 fusion. Our study illustrates, albeit extremely rare, that NTRK‐rearranged neoplasms can arise as a primary bone lesion. In addition, we describe a novel HMBOX1::NTRK3 fusion that has not been documented before.
Magnetostratigraphy of palaeolake sequence from Kumaun Lesser Himalaya, India: Implications on young geomagnetic excursions
Authors: Venkateshwarlu Mamilla , Babu Nathi Ramesh , Kapawar Mahesh R. , Kotlia Bahadur Singh , Singh Anoop Kumar , Satyakumar Animireddi Venkata 
Published: February 2023

Geomagnetic excursions are short‐lived episodes when Earth's magnetic field deviates into an intermediate polarity state. Understanding the origin, frequency, amplitude, duration, and field behaviour associated with excursions is a forefront research area within solid Earth geophysics. Excursion events typically last a few thousand to tens of thousands of years; unlike full reversals, excursions are generally not recorded around the globe. We present here a new palaeomagnetic record (Geomagnetic excursions) from a lacustrine sediment sequence (at times, punctuated by undersized horizons of the gravels) with extraordinarily stable signals. Palaeomagnetic and rock magnetic investigations were performed on a 17‐m‐thick profile of unconsolidated sediments from Bagwalipokar palaeolake (Lat. 29°43′18″; Long. 79°28′42″; altitude 4167 ft), Binta Basin in the Kumaun Lesser Himalaya, situated in the zone of the active North Almora Thrust (NAT). A total of 540 oriented palaeomagnetic samples from 108 horizons (five samples per horizon) were collected from the section. The extrapolation of the optically stimulated luminescence (OSL) date indicates that the whole section was deposited between 45 and 2.5 ka. Magnetic remanence is predominantly carried by magnetite alone. Virtual Geomagnetic Pole (VGP) latitudes were determined using mean declinations and inclinations. Two geomagnetic excursions were observed at younger levels [11.6–10.5 m (15.5–14.7 ka) and 15–11.7 m (8.0–2.85 ka)]. These geomagnetic excursions correlate with the recently reported younger Hawaiian lava flow excursions. The youngest excursion from 8 ka may be attributed to the climatic event beginning at 8.2 ka cooling event of an oxygen isotope record of biogenic carbonate from palaeolake Riwasa in north‐western India that provides a history of the Indian Summer Monsoon (ISM) from ∼11 to 6 ka BP and also the North Atlantic glacial outburst flood and the slowdown of Atlantic meridional overturning circulation. However, further work is needed to verify this interpretation.
Spatial downscaling of precipitation for hydrological modelling: Assessing a simple method and its application under climate change in Britain
Authors: Kay Alison L. , Rudd Alison C. , Coulson James 
Published: February 2023

AbstractNational or regional grid‐based hydrological models are usually run at relatively fine spatial resolutions. But the meteorological data necessary to drive such models are often coarser resolution, so some form of spatial downscaling is generally required. A 1 km hydrological model for Great Britain is used to test the performance of a simple method of downscaling precipitation based on 1 km patterns of long‐term mean annual rainfall (Standard Average Annual Rainfall; SAAR). For a range of coarser resolutions (5, 10, 25 and 50 km), a 1 km grid of multiplicative scaling factors is derived as the ratio of the 1 km grid box SAAR divided by the mean SAAR of the coarser resolution grid box that contains it. A dataset of 1 km daily observation‐based precipitation is then degraded to the coarser resolutions, and application of SAAR scaling factors is compared to no downscaling and direct use of 1 km data, for simulating river flows for a large set of catchments. SAAR‐based downscaling provides a clear improvement over no downscaling. Using monthly rather than annual long‐term mean rainfall patterns provides minimal further improvement. There are no strong relationships between performance and catchment properties, but performance using 50 km precipitation without downscaling tends to be worse for smaller, steeper catchments and those with a more south‐westerly aspect; these benefit more from SAAR‐based downscaling. An assessment using high‐resolution convection‐permitting model data shows relatively small changes in derived SAAR scaling factors between a baseline and far‐future period, suggesting that use of historical scaling factors for future periods is reasonable. Applicability of this simple downscaling method for other parts of the world should be similarly assessed, for both historical and future periods. While use of annual patterns seems to be sufficient in Britain, areas where spatial rainfall patterns are more variable through the year may require use of sub‐annual patterns.
Ligand‐Directed Chemistry for Protein Labeling for Affinity‐Based Protein Analysis
Authors: Sakamoto Seiji , Hamachi Itaru 
Published: February 2023

AbstractStructural and functional analyses of proteins‐of‐interest (POI) in multimolecular crowding conditions (mMCC) such as live cells and tissues are regarded as inevitable challenges for in depth understanding of the real shapes of POIs in their existing natural environments. Activity‐based protein profiling (ABPP) is a definitely powerful tool capable of analyzing a proteome possessing a particular activity under mMCC. While ABPP usually targets a proteome of interest, study of a particular protein in mMCC is also valuable. Although activity‐based probes (ABPs) are often used for this aim, most of conventional ABPs cause the loss of original activities, and therefore are not perfectly suitable for functional analysis of labeled proteins. Ligand‐directed chemistry (LDchem) developed by our group is an alternative approach of ABPs, that can modify a surface of POI rather than its active site using a cleavable electrophile in a traceless manner. LDchem thus enables the POI labeling with a synthetic fluorophore with no or minimal effects on the original functions of POIs even in mMCC. In this review, we briefly describe a principle of LDchem for native protein labeling and summarize its recent chemical biology applications such as the imaging‐based biological analysis of POI functions and construction of POI‐based biosensors.
Balanced covering arrays: A classification of covering arrays and packing arrays via exact methods
Authors: Kampel Ludwig , Hiess Irene , Kotsireas Ilias S. , Simos Dimitris E. 
Published: February 2023

AbstractIn this paper we investigate the intersections of classes of covering arrays (CAs) and packing arrays (PAs). The arrays appearing in these intersections obey to upper and lower bounds regarding the appearance of tuples in sub‐matrices—we call these arraysbalanced covering arrays. We formulate and formalize first observations for which upper and lower bounds on the appearance of tuples it is of interest to consider these intersections of CAs and PAs. Outside of these bounds the intersections will be either empty, for the case of too restrictive constraints, or equal to the maximum element in the emerging lattices, for the case of too weak constraints. We present a column extension algorithm for classification of nonequivalent balanced CAs that uses a SAT solver or a pseudo‐Boolean (PB) solver to compute the columns suitable for array extension together with a lex‐leader ordering to identify unique representatives for each equivalence class of balanced CAs. These computations bring to light a dissection of classes of CAs that is partially nested due to the nature of the considered intersections. These dissections can be trivial, containing only a single type of balanced CAs, or can also appear as highly structured containing multiple nested types of balanced CAs. Our results indicate that balanced CAs are an interesting class of designs that is rich of structure.