bluuebunny/crossref_metadata_2025 huggingface dataset:
Uncovering Protein Ensembles: Automated Multiconformer Model Building for X-ray Crystallography and Cryo-EM
Authors: Wankowicz Stephanie A. , Ravikumar Ashraya , Sharma Shivani , Riley Blake T. , Raju Akshay , Hogan Daniel W. , van den Bedem Henry , Keedy Daniel A. , Fraser James S.
Published: May 2024

With the advent of AlphaFold, protein structure prediction has attained remarkable accuracy. These achievements resulted from a focus on single static structures. The next frontier in this field involves enhancing our ability to model conformational ensembles, not just the ground states of proteins. Notably, deposited structures result from interpretation of density maps, which are derived from either X-ray crystallography or cryogenic electron microscopy (cryo-EM). These maps represent ensemble averages, reflecting molecules in multiple conformations. Here, we present the latest developments in qFit, an automated computational approach to model protein conformational heterogeneity into density maps. We present algorithmic advancements to qFit, validated by improved R free and geometry metrics across a broad and diverse set of proteins. Automated multiconformer modeling holds significant promise for interpreting experimental structural biology data and for generating novel hypotheses linking macromolecular conformational dynamics to function.
Neuron-specific RNA-sequencing reveals different responses in peripheral neurons after nerve injury
Authors: Bolívar Sara , Sanz Elisenda , Ovelleiro David , Zochodne Douglas W , Udina Esther
Published: May 2024

Peripheral neurons are heterogeneous and functionally diverse, but all share the capability to switch to a pro-regenerative state after nerve injury. Despite the assumption that the injury response is similar among neuronal subtypes, functional recovery may differ. Understanding the distinct intrinsic regenerative properties between neurons may help to improve the quality of regeneration, prioritizing the growth of axon subpopulations to their targets. Here, we present a comparative analysis of regeneration across four key peripheral neuron populations: motoneurons, proprioceptors, cutaneous mechanoreceptors, and nociceptors. Using Cre/Ai9 mice that allow fluorescent labeling of neuronal subtypes, we found that nociceptors showed the greater regeneration after a sciatic crush, followed by motoneurons, mechanoreceptors, and, finally, proprioceptors. By breeding these Cre mice with Ribotag mice, we isolated specific translatomes and defined the regenerative response of these neuronal subtypes after axotomy. Only 20% of the regulated genes were common, revealing a diverse response to injury among neurons, which was also supported by the differential influence of neurotrophins among neuron subtypes. Among differentially regulated genes, we proposed MED12 as a specific regulator of the regeneration of proprioceptors. Altogether, we demonstrate that the intrinsic regenerative capacity differs between peripheral neuron subtypes, opening the door to selectively modulate these responses.
Allosteric coupling asymmetry mediates paradoxical activation of BRAF by type II inhibitors
Authors: Rasmussen Damien M , Semonis Manny M , Greene Joseph T , Muretta Joseph M , Thompson Andrew R , Toledo Ramos Silvia , Thomas David D , Pomerantz William CK , Freedman Tanya S , Levinson Nicholas M
Published: May 2024

The type II class of RAF inhibitors currently in clinical trials paradoxically activate BRAF at subsaturating concentrations. Activation is mediated by induction of BRAF dimers, but why activation rather than inhibition occurs remains unclear. Using biophysical methods tracking BRAF dimerization and conformation, we built an allosteric model of inhibitor-induced dimerization that resolves the allosteric contributions of inhibitor binding to the two active sites of the dimer, revealing key differences between type I and type II RAF inhibitors. For type II inhibitors the allosteric coupling between inhibitor binding and BRAF dimerization is distributed asymmetrically across the two dimer binding sites, with binding to the first site dominating the allostery. This asymmetry results in efficient and selective induction of dimers with one inhibited and one catalytically active subunit. Our allosteric models quantitatively account for paradoxical activation data measured for 11 RAF inhibitors. Unlike type II inhibitors, type I inhibitors lack allosteric asymmetry and do not activate BRAF homodimers. Finally, NMR data reveal that BRAF homodimers are dynamically asymmetric with only one of the subunits locked in the active αC-in state. This provides a structural mechanism for how binding of only a single αC-in inhibitor molecule can induce potent BRAF dimerization and activation.
Anti-drift pose tracker (ADPT): A transformer-based network for robust animal pose estimation cross-species
Authors: Tang Guoling , Han Yaning , Liu Quanying , Wei Pengfei
Published: May 2024

Deep learning-based methods for animal pose estimation have recently made substantial progress in improving the accuracy and efficiency of quantitative descriptions of animal behavior. However, these methods commonly suffer from tracking drifts, i.e., sudden jumps in the estimated position of a body point due to noise, thus reducing the reliability of behavioral study results. Here, we present a transformer-based animal pose estimation tool, called Anti-Drift Pose Tracker (ADPT), for eliminating tracking drifts in behavior analysis. To verify the anti-drift performance of ADPT, we conduct extensive experiments in multiple cross-species datasets, including long-term recorded mouse and monkey behavioral datasets collected by ourselves, as well as two public Drosophilas and macaques datasets. Our results show that ADPT greatly reduces the rate of tracking drifts, and significantly outperforms the existing deep-learning methods, such as DeepLabCut, SLEAP, and DeepPoseKit. Moreover, ADPT is compatible with multi-animal pose estimation, enabling animal identity recognition and social behavioral study. Specifically, ADPT provided an identification accuracy of 93.16% for 10 unmarked mice, and of 90.36% for free-social unmarked mice which can be further refined to 99.72%. Compared to other multi-stage network-based tools like multi-animal DeepLabCut, SIPEC and Social Behavior Atlas, the end-to-end structure of ADPT supports its lower computational costs and meets the needs of real-time analysis. Together, ADPT is a versatile anti-drift animal behavior analysis tool, which can greatly promote the accuracy, robustness, and reproducibility of animal behavioral studies. The code of ADPT is available at https://github.com/tangguoling/ADPT.
Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)
Authors: Deganutti Giuseppe , Pipitò Ludovico , Rujan Roxana M , Weizmann Tal , Griffin Peter , Ciancetta Antonella , Moro Stefano , Reynolds Christopher A
Published: May 2024

The structural basis for the pharmacology of G protein-coupled receptors (GPCRs), the most abundant membrane proteins and the target of about 35% of approved drugs, is still a matter of intense study. What makes GPCRs challenging to study is the inherent flexibility and the metastable nature of interaction with extra- and intracellular partners that drive their effects. Here, we present a molecular dynamics (MD) adaptive sampling algorithm, namely multiple walker supervised molecular dynamics (mwSuMD), to address complex structural transitions involving GPCRs without energy input. We first report the binding and unbinding of the vasopressin peptide from its receptor V
2
. Successively, we present the complete transition of the glucagon-like peptide-1 receptor (GLP-1R) from inactive to active, agonist and G
s
-bound state, and the GDP release from G
s
. To our knowledge, this is the first time the whole sequence of events leading from an inactive GPCR to the GDP release is simulated without any energy bias. We demonstrate that mwSuMD can address complex binding processes intrinsically linked to protein dynamics out of reach of classic MD.
Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)
Authors: Deganutti Giuseppe , Pipitò Ludovico , Rujan Roxana M. , Weizmann Tal , Griffin Peter , Ciancetta Antonella , Moro Stefano , Reynolds Christopher A.
Published: May 2024

The structural basis for the pharmacology of G protein-coupled receptors (GPCR), the most abundant membrane proteins and the target of about 35% of approved drugs, is still a matter of intense study. What makes GPCRs challenging to study is the inherent flexibility and the metastable nature of interaction with extra- and intracellular partners that drive their effects. Here, we present a molecular dynamics (MD) adaptive sampling algorithm, namely multiple walker supervised molecular dynamics (mwSuMD), to address complex structural transitions involving GPCRs without energy input. By increasing the complexity of the simulated process, we first report the binding and unbinding of the vasopressin peptide from its receptor V
2
. Successively, we show the stimulatory (G
s
) and inhibitory (G
i
) G proteins binding to the adrenoreceptor β
2
(β
2
AR), and the adenosine 1 receptor (A
1
R), respectively. Then we present the complete transition of the glucagon-like peptide-1 receptor (GLP-1R) from inactive to active, agonist and G
s
-bound state, and the GDP release from the activated G
s
. Finally, we report the heterodimerization between the adenosine receptor A
2
(A
2A
R) and the dopamine receptor D
2
(D
2
R) and subsequent bivalent ligand binding. We demonstrate that mwSuMD can address, without or with limited energetic bias, complex binding processes such as G protein selectivity and homo- and heterodimerization that are intrinsically linked to the dynamics of the protein and out of reach of classic MD.
A transcription network underlies the dual genomic coordination of mitochondrial biogenesis
Authors: Zhang Fan , Lee Annie , Freitas Anna V. , Herb Jake T. , Wang Zongheng , Gupta Snigdha , Chen Zhe , Xu Hong
Published: May 2024

Mitochondrial biogenesis requires the expression of genes encoded by both the nuclear and mitochondrial genomes. However, aside from a handful transcriptional factors regulating specific subsets of mitochondrial genes, the overall architecture of the transcriptional control of mitochondrial biogenesis remains to be elucidated. The mechanisms coordinating these two genomes are largely unknown. We performed a targeted RNAi screen in developing eyes with reduced mitochondrial DNA content, anticipating a synergistic disruption of tissue development due to impaired mitochondrial biogenesis and mtDNA deficiency. Among 638 transcription factors annotated in Drosophila genome, 77 were identified as potential regulators of mitochondrial biogenesis. Utilizing published ChIP-seq data of positive hits, we constructed a regulatory network, revealing the logic of the transcription regulation of mitochondrial biogenesis. Multiple transcription factors in core layers had extensive connections, collectively governing the expression of nearly all mitochondrial genes, whereas factors sitting on the top layer may respond to cellular cues to modulate mitochondrial biogenesis through the underlying network. CG1603, a core component of the network, was found to be indispensable for the expression of most nuclear mitochondrial genes, including those required for mtDNA maintenance and gene expression, thus coordinating nuclear genome and mtDNA activities in mitochondrial biogenies. Additional genetics analyses validated YL-1, a transcription factor upstream of CG1603 in the network, as a regulator controlling CG1603 expression and mitochondrial biogenesis.
Astrogliosis and Neuroinflammation Underlie Scoliosis Upon Cilia Dysfunction
Authors: Djebar Morgane , Anselme Isabelle , Pezeron Guillaume , Bardet Pierre-Luc , Cantaut-Belarif Yasmine , Eschstruth Alexis , López Santos Diego , Le Ribeuz Hélène , Jenett Arnim , Khoury Hanane , Véziers Joelle , Parmentier Caroline , Hirschler Aurélie , Carapito Christine , Bachmann-Gagescu Ruxandra , Schneider-Maunoury Sylvie , Vesque Christine
Published: May 2024

Cilia defects lead to scoliosis in zebrafish, but the underlying pathogenic mechanisms are poorly understood and may diverge depending on the mutated gene. We dissected the mechanisms of scoliosis onset in a zebrafish mutant for the
rpgrip1l
gene encoding a ciliary transition zone protein.
rpgrip1l
mutant fish developed scoliosis with near-total penetrance but asynchronous onset in juveniles. Taking advantage of this asynchrony, we found that curvature onset was preceded by brain ventricle dilations and concomitant to the perturbation of Reissner fiber polymerization and to the loss of multicilia tufts around the subcommissural organ. Rescue experiments showed that Rpgrip1l was exclusively required in
foxj1a
-expressing cells to prevent axis curvature. Transcriptomic and proteomic studies identified neuroinflammation associated with increased Annexin levels as a potential mechanism of scoliosis development in
rpgrip1l
juveniles. Investigating the cell types associated with
annexin2
over-expression, we uncovered astrogliosis, arising in glial cells surrounding the diencephalic and rhombencephalic ventricles just before scoliosis onset and increasing with time in severity. Anti-inflammatory drug treatment reduced scoliosis penetrance and severity and this correlated with both reduced astrogliosis and macrophage/microglia enrichment around the diencephalic ventricle. Mutation of the
cep290
gene encoding another transition zone protein also associated astrogliosis with scoliosis. Thus, we propose that the onset of a feed-forward loop between astrogliosis, induced by perturbed ventricular homeostasis, and immune cells recruitment as a novel pathogenic mechanism of zebrafish scoliosis in ciliary transition zone mutants.
Observational activation of anterior cingulate cortical neurons coordinates hippocampal replay in social learning
Authors: Mou Xiang , Ji Daoyun
Published: May 2024

Social learning enables a subject to make decisions by observing the actions of another. How neural circuits acquire relevant information during observation to guide subsequent behavior is unknown. Utilizing an observational spatial working memory task, we show that neurons in the rat anterior cingulate cortex (ACC) associated with spatial trajectories during self-running in a maze are activated when observing another rat running the same maze. The observation-induced ACC activities are reduced in error trials and are correlated with activities of hippocampal place cells representing the same trajectories. The ACC activities during observation also predict subsequent hippocampal place cell activities during sharp-wave ripples and spatial contents of hippocampal replay prior to self-running. The results support that ACC neurons involved in decisions during self-running are reactivated during observation and coordinate hippocampal replay to guide subsequent spatial navigation.
Vardøhus och Finnmark på tidigmoderna kartor
Authors: Hansen Henning
Published: May 2024

Det nordnorska landskapet var länge föremål för omfattande mytbildning och fascination, vilket tog sig uttryck i mer eller mindre fantasifyllda skildringar i både text och bild. På de första tryckta kartorna över Skandinavien är Nordnorge över huvud taget inte igenkännbart. På ett tidigt stadium blev dock Vardøhus, följt av Finnmark, givna företeelser på kartor över de nordligaste områdena och de blev snabbt omistliga informationspunkter för tidens kartografer. Vardøhus och Finnmark kom i mångt och mycket att definiera de tidiga avbildningarna av landsdelen.
Transparência, comunicação, informação e movimentos sociais: formação política e participação sociopolítica dos portais institucionais
Authors: Cristo Hélio Souza de , Nascimento Filho Aloísio Santos , Saba Hugo
Published: May 2024

Este trabalho bibliográfico de abordagem qualitativa busca tecer considerações sobre os elementos disponibilizados em portais institucionais de grupos, coletivos, organizações e movimentos sociais que se constituem como instrumentos potenciais à participação sociopolítica dos cidadãos. Por isso, chamar a atenção sobre a relação entre juventudes, participação sociopolítica e direito de acesso à informação, a partir das dimensões participação, comunicação e accountability significa considerar que uma parcela da juventude está inserida nos ciberespaços, cuja inserção incide sobre seus processos de formação política e participação sociopolítica. Considera-se os portais institucionais de grupos, coletivos, organizações e movimentos sociais como canais de acesso ao direito à informação através dos quais é possível, também, fomentar a participação política e democrática, cuja estrutura dos portais – via interação e transparência através das tecnologias digitais da informação e comunicação – pode funcionar como ferramenta de construção e disseminação de ideias, informações, denúncias, controle social e diálogo aberto, participativo e democrático.
Constraints Faced by the Tribal Goat Farmers of Kandhamal District in Odisha, India
Authors: Das Bhabesh Chandra , Sahoo Abinash , Vandre Rajesh Kumar , Sant Suman
Published: May 2024

Goat rearing is one of the important supplementary activities in tribal areas of our country. It provides emergency income security to the vulnerable tribal farmers besides social status in the community. However, this occupation is associated with many problems at present and the tribal goat farmers are mostly affected. The present study was undertaken to find out the problems encountered by the tribal farmers in goat rearing which affect their livelihood. Kandhamal district of Odisha was purposively selected for the study as this district is highly concentrated with local goats. From randomly selected four blocks of the district, four villages were also selected randomly from each block. Thereafter, seven goat farmers from each village were selected randomly which constitute the sample size of 112 goat farmers for the study. The data for the study was collected personally by the researcher with the help of pre-tested interview schedule. The study employed ex-post facto research design to capture field data. The constraints were ranked by using Garrett's ranking technique. The study revealed that insufficient subsidy and support from government, unavailability of good quality kids to start a farm, tribal farmers lack of exposure to successful goat farms in the nearby area, goat farming as a low caste activity and facing difficulty to sell the goats at door step as major constraints perceived by the tribal goat farmers in rearing goats for their livelihood. The State Animal Husbandry Department may take up the awareness programme to address these issues related to the financial, operational, extension and marketing constraints faced by the tribal goat farmers to support their livelihood as they are most vulnerable section of the society.
Exchange Rate Volatility and Productivity in Nigeria: An Empirical Analysis
Authors: Orisdare Monica A. , Olofin Sodik
Published: May 2024

The volatile movement in Nigeria’s exchange rate constitutes a severe headwind to the economic activity in the country and the eventual performance of productivity and economic growth. Therefore, this study sought to investigate the impact of exchange rate volatility on productivity in Nigeria. Due to the seemingly mixed order of integration in the variables, the Johansen and Bound cointegration tests were used to establish that there are long-run relationships between the variables. Following the cointegration tests, the analysis of the study was based on the Autoregressive Distributed Lag (ARDL) Model. The findings from the study revealed that exchange rate volatility negatively impacts productivity in Nigeria in the short run and in the long run. However, the financial development in Nigeria negatively impacts productivity, reflecting the underdevelopment of the financial system to transmit its function to the real sector.  Other variables considered emphasise persistence in the way they impact productivity. The article also emphasised the need for the harmonisation of foreign exchange management guidelines and clarity and transparency in the management of the foreign exchange market.
Delineation of Groundwater at Iseyin, South Western Nigeria
Authors: Usifo Abel Giwa , Adeola Adewole John
Published: May 2024

Aims: This research was carried out to determine: the variation in resistivity of the different soil profiles in the area, the depth and thickness of the weathered basement, the depth and thickness of the aquifer, the depth to basement, and to establish areas suitable for borehole development.
Materials and Methods: Vertical Electrical Sounding (VES) was carried out using Schlumberger electrode array. A pair of potential and current electrodes was arranged in such a way that the potential electrodes were positioned in between the current electrodes and the positioning of the electrodes was set out using the measuring tape. The Ohmega resistivity meter was used for the data collection which measures the apparent resistivity of the subsurface.
Results and Conclusions: The results showed that the area is composed of four (4) to five (5) layers, namely; the topsoil, clay, sandy clay/clayey sand, sand, and dry sand. The top soil has apparent resistivity ranging from 134.2 to 790.9 \(\Omega\)m with thickness and depth between 0.4 and 2.4 m. Clay is found mainly in traverses 1, 7, and 8. It has apparent resistivity ranging from 37 to 77.4 \(\Omega\)m , thickness between 2.9 and 1.9 m and depth within 5.0 and 16.9 m. Sandy clay/ clayey sand are concentrated in traverses 1, 3, 5 and 8 with apparent resistivity range between 18.4 and151.8 \(\Omega\)m ; thickness of about 1.3 to 18.8 m , and depth ranging from 2.3 to 35.7 m. The sand has apparent resistivities of about 226.2 to 610.8; thickness between 0.4 and 7.7 m, and depth ranging from 1.0 to 12.2 m. They are found in traverses 2, 3, and 4. Dry sand/ dry sand (with quartzite) have apparent resistivities ranging from 407.8 to 924.3 \(\Omega\)m . It has thickness ranging from 0.8 to 3.2 m and depth between 0.8 and 5.1 m. Perched aquifer could be found in sand and sandy clay. Wet sand contains both confined and unconfined aquifers while clayey sand harbours confined aquifer.
Physical, Chemical and Biological Changes of Enriched Insect Biomass Compost at Different Stages of Decomposition
Authors: Ambruthavarshini . , Naveen D. V. , Venkatachalapathi V. , Manjunatha R. , Prakasha H. C.
Published: May 2024

Changes in physical, chemical and biological changes during different stages of insect enriched compost were determined with compost enriched with insect biomass such as silkworm pupae, silkworm moth, uzi fly and fruit fly. There were higher in moisture and temperature during initial weeks of composting and thereafter it decreased with time. The pH of the decomposing materials decreased with the time of decomposition of silkworm pupae, moth, uzi fly and fruit fly residue except farm yard manure. There were losses of N in FYM+ silkworm pupae and FYM + silkworm pupae with the effect an initial increase in C:N ratio was observed which decreased later on due to decomposition. Per cent major, secondary and micronutrients content increased during composting of silkworm pupae and moth residues as compare to all composts. The microbial population and enzymatic activities were higher between 30 and 60 days of composting during various compost which was enriched with selected insect biomass. Whereas, higher were observed in pupa and moth composts compared to fruit fly an uzi fly compost.
Comparative Efficacy of Selected Insecticides against Helicoverpa armigera (Hubner) on Cowpea, Vigna unguiculata (L.) in Prayagraj, U.P., India
Authors: Dipak . , Kumar Ashwani
Published: May 2024

The experiment was conducted at the Department of Agricultural Entomology at Central Research Farm (CRF), Sam Higginbottom University of Agriculture Technology and Sciences, Prayagraj during the Kharif season of 2023 in a Randomized Block Design with three replications and eight treatments against, Vigna unguiculata i.e., of (T1) Spinosad 45SC, (T2) Novaluron 10EC, (T3) Emamectin benzoate 10EC, (T4) HaNPV, (T5) Neem oil 5%, (T6) Spinosad 45% + Neem oil 5%, (T7) Nisco Sixer plus, (T0) Control. Each insecticide was sprayed twice at 15 days interval. The larval population per plant was taken day before and 3, 7, and 14 days after each spray. All the insecticides tested significantly reduced the pest infestation compared to control. The lowest percentage infestation of larval population of Helicoverpa armigera was observed in T6 Spinosad 45% + Neem oil 5% (1.55 %), (1.08 %) at both sprayers followed by T3 Emamectin benzoate 10EC (1.66 %), (1.19 %), T1 Spinosad 45SC (1.71 %), (1.24 %), (T2) Novaluron 10EC (1.79 %), (1.35), (T4) HaNPV (1.86 %), (1.44 %), (T5) Neem oil 5% (1.93 %), (1.55 %), (T7) Nisco Sixer plus (2.02 %), (1.62 %), T0  Control (30.87), (25.44). The crop yield and cost benefit ratio ranged between (10.36 q/ha and 19.49 q/ha), the highest being in Spinosad 45% + Neem oil 5% (19.49 q/ha), (1:3.8) followed by Emamectin benzoate 10EC (17.68 q/ha), (1:3.5), Spinosad 45SC (16.01 q/ha), (1:2.9), Novaluron 10EC (14.74 q/ha), (1:2.8), HaNPV (13.23 q/ha), (1:2.7), Neem oil 5% (12.8 q/ha), (1:2.6) and Nisco Sixer plus (11.12 q/ha), (1:2.4) and Control plot (10.36 q/ha), (1:2.3).
Nanotechnology and Therapeutic Interventions in COVID–19: A Review
Authors: Gauri Hire , Charushila Bhangale
Published: May 2024

The topic and title concern the modern technology study and review with the aid and aiming the therapeutic interpretation and overall emphases on a novel corona virus disease called COVID-19, a respiratory disorder; to overcome the disease and its prevention, the article is determined here. As the modern technique to demonstrate the overview of the virus and its cause, prevention, treatment and how the so-called modern technique, namely “nanotechnology” and its various components and factors are valuable and helpful with their pharmacological effects, implications, and other therapeutic interventions in treating the viral infection is discussed and reviewed. Several essential factors with nanoparticles, nanomaterials, and technology-based applications by reduction of spreadability of infections with nanoformulation antibiotics and pharmaceuticals are demonstrated in the article. For increased patient and healthcare worker safety, nano-based antimicrobial technologies are included too. Again binding, entrance, replication, and budding of COVID-19 can be targeted by the antiviral properties of nanoparticles which is actual need of the study. One factor that restricts its use and should be further researched and altered is the toxicity-related inorganic nanoparticles observed and need to investigate further for vigilance, one must say. The article describes several facts about nanotechnology in treating and preventing infection and its therapeutic interventions.
Teilabzugsverbot im Personengesellschaftskonzern — Teleologische Reduktion des § 3c Abs. 2 Satz 1 EStG bei als Sonderbetriebsausgaben zu qualifizierenden Zinszahlungen des Mitunternehmers an die Gesellschaft, zu BFH v. 16.11.2023, FR 2024, 488
Authors: Zieglmeier Moritz , Kloß Katrin
Published: May 2024

Der BFH hat (erneut) zur zweckbedingten Einschränkung des Anwendungsbereichs von § 3c Abs.2 EStG Stellung bezogen. Dem Urteilsfall lag eine komplexe Gesellschaftsstruktur zugrunde, innerhalb derer diverse gruppeninterne Darlehen vergeben wurden. Im Folgenden werden der Sachverhalt sowie die Entscheidungsgründe des BFH dargestellt. Anschließend wird die Argumentation des BFH im Hinblick auf die einschränkende Auslegung des § 3c Abs. 2 EStG gewürdigt. Abschließend werden Gestaltungsimplikationen aufgezeigt und zu ungeklärten, vom Urteilsfall nicht aufgegriffenen Rechtsfragen Stellung bezogen.
Verhältnis spezialgesetzlicher Missbrauchsverhinderungsvorschriften zur Generalklausel des § 42 AO
Authors: Herdt Ann-Christin
Published: May 2024

Angesichts der nun 15-jährigen Erfahrung mit dem geänderten § 42 AO und eines umfassenden BFH-Urteils zum Verhältnis von § 42 AO zu spezialgesetzlichen Missbrauchsverhinderungsvorschriften erscheint ein umfassendes Resümee des aktuellen Meinungsstandes bzgl. dieser Thematik erforderlich. Dem widmet sich der folgende Beitrag bzgl. positiver und negativer Spezialität anhand einer Kategorisierung spezialgesetzlicher Missbrauchsverhinderungsvorschriften in echte und unechte Spezialnormen. Zudem werden drei Sonderkonstellationen beleuchtet.
ChemInform Abstract: M3(Au,Ge)19 and M3.25(Au,Ge)18 (M: Ca, Yb): Distinctive Phase Separations Driven by Configurational Disorder in Cubic YCd6‐Type Derivatives.
Authors: Lin Qisheng , Corbett John D.
Published: July 2010

Two cleanly separated nonstoichiometric phases M3Au14.4Ge4.6 (I) and M3.25Au12.7Ge5.3 (II) (M: Ca, Yb) exist in the M—Au—Ge systems and are characterized by single crystal XRD and DFT electronic structure calculations.
ChemInform Abstract: Synthesis, Characterization, and Crystal Structure of a New Trisodium Triborate, Na3[B3O4(OH)4].
Authors: Andrieux Jerome , Goutaudier Christelle , Laversenne Laetitia , Jeanneau Erwann , Miele Philippe
Published: July 2010

The title compound can be prepared either by hydrolysis of NaBH4 (3 equiv.
ChemInform Abstract: Formation of Scandium Carbides and Scandium Oxycarbide from the Elements at High‐(P, T) Conditions.
Authors: Juarez‐Arellano Erick A. , et al. et al.
Published: July 2010

The reaction of elemental scandium and carbon at high temperature and pressure conditions is investigated by synchrotron diffraction measurements with in situ laser heated diamond anvil cells and multi‐anvil press synthesis experiments.
ChemInform Abstract: NaVO2(IO3)2(H2O): A Unique Layered Material Produces a Very Strong SHG Response.
Authors: Yang Bing‐Ping , Hu Chun‐Li , Xu Xiang , Sun Chuan‐Fu , Zhang Jian‐Han , Mao Jiang‐Gao
Published: July 2010

Light yellow hexagonal‐shaped single crystals of the new title compound are hydrothermally synthesized from mixtures of NaVO3, Ga2O3, and I2O5 (H2O, autoclave, 200 °C, 4 d, 83% yield).
ChemInform Abstract: The Enantioselective Intramolecular Morita—Baylis—Hillman Reaction Catalyzed by Amino Acid‐Derived Phosphinothiourea.
Authors: Gong Jing‐Jing , Yuan Kui , Song Hong‐Liang , Wu Xin‐Yan
Published: July 2010

The phosphinothiourea shown in the scheme efficiently promotes asymmetric intramolecular Morita—Baylis—Hillman reaction of aldehydes of type (I).
ChemInform Abstract: Efficient, Enantioselective Iminium Catalysis with an Immobilized, Recyclable Diarylprolinol Silyl Ether Catalyst.
Authors: Mager Ina , Zeitler Kirsten
Published: July 2010

The immobilized prolinol (PSP) is found to be an efficient catalyst for the asymmetric Michael addition of nitromethane to α,β‐unsaturated aldehydes.
ChemInform Abstract: Synthesis of 3‐((2,4‐Dichlorophenoxy)methyl)‐1,2,4‐triazolo(thiadiazoles and thiadiazines) as Antiinflammatory and Molluscicidal Agents.
Authors: El Shehry M. F. , Abu‐Hashem A. A. , El‐Telbani E. M.
Published: July 2010

Using the key precursor (I), a series of fused and non‐fused 1,2,4‐triazoles with a (2,4‐dichlorophenoxy)methyl moiety is synthesized and tested for their anti‐inflammatory and molluscicidal activities.
ChemInform Abstract: Rhodium‐Catalyzed C—C Bond Cleavage: Construction of Acyclic Methyl Substituted Quaternary Stereogenic Centers.
Authors: Seiser Tobias , Cramer Nicolai
Published: July 2010

The present new rhodium‐catalyzed enantioselective conversion of various cyclobutanols provides access to methyl substituted quaternary stereogenic centers in high yields and enantioselectivities.
ChemInform Abstract: Passerini Three‐Component Reaction of Alcohols under Catalytic Aerobic Oxidative Conditions.
Authors: Brioche Julien , Masson Geraldine , Zhu Jieping
Published: July 2010

Alcohols instead of aldehydes or ketones are used in the process which includes a new ternary catalytic system.
ChemInform Abstract: Palladium‐Catalyzed Enantioselective Hydrosilylation of Aromatic Olefins.
Authors: Junge Kathrin , Wendt Bianca , Enthaler Stephan , Beller Matthias
Published: July 2010

High yields and enantioselectivities up to 90 % ee are achieved under mild conditions for a broad range of substituted styrenes.
ChemInform Abstract: A very Simple and Highly Efficient Procedure for N‐Formylation of Primary and Secondary Amines at Room Temperature under Solvent‐Free Conditions.
Authors: Brahmachari Goutam , Laskar Sujay
Published: July 2010

A broad spectrum of primary and secondary amines as well as hydrazine (VIII) can be used as suitable substrates.
ChemInform Abstract: 1,3,2,4‐Diazadiphosphetidines as New P—N Ligands for Palladium‐Catalyzed Heck Reaction in Water.
Authors: Iranpoor Nasser , Firouzabadi Habib , Tarassoli Abbas , Fereidoonnezhad Masood
Published: July 2010

The new diazadiphosphetidine shown in the scheme efficiently promotes the Heck reaction of aromatic iodides, bromides, and chlorides with activated and unactivated alkenes in water.
ChemInform Abstract: Palladium‐Catalyzed Hydroarylation of Alkynes with Arylboronic Acids
Authors: Xu Xiaoling , Chen Jiuxi , Gao Wenxia , Wu Huayue , Ding Jinchang , Su Weike
Published: July 2010

as an efficient and regioselective method to prepare trisubstituted alkenes
ChemInform Abstract: Comparative Study of Copper‐ and Silver‐Catalyzed Protodecarboxylations of Carboxylic Acids.
Authors: Goossen Lukas J. , Rodriguez Nuria , Linder Christophe , Lange Paul P. , Fromm Andreas
Published: July 2010

The silver(I) catalyst promotes the protodecarboxylation of various carboxylic acids at temperatures in the range of 80‐120°C, more than 50°C below the best known copper(I) catalyst.
ChemInform Abstract: Silica‐Bonded S‐Sulfonic Acid as Recyclable Catalyst for the Synthesis of 1,8‐Dioxo‐decahydroacridines and 1,8‐Dioxo‐octahydroxanthenes.
Authors: Niknam Khodabakhsh , Panahi Farhad , Saberi Dariush , Mohagheghnejad Molki
Published: July 2010

An easy access to xanthene and acridine derivatives using silica‐bonded S‐sulfonic acid as a reusable catalyst is described.
ChemInform Abstract: A Triple‐Aldol Cascade Reaction for the Rapid Assembly of Polyketides.
Authors: Albert Brian J. , Yamamoto Hisashi
Published: July 2010

An easy, efficient, and diastereoselective method to prepare 3,5,7‐trisilyloxy aldehydes is reported.
ChemInform Abstract: Practical Synthesis of gem‐Difluorides from Cyclohexanone: Synthesis of gem‐Bistrifluoroacetates and Their Reactions with Fluoride Nucleophiles.
Authors: Tojo Masahiro , Fukuoka Shinsuke , Tsukube Hiroshi
Published: July 2010

Cyclohexanone (I) reacts with acid anhydrides to afford mixtures of gem‐diacyloxycyclohexane and cyclohexenylacylate.
ChemInform Abstract: The Combination of TsNBr2/TsNH2 as the Nitrogen/Halo Source for the Aminobromination of β‐Methyl‐β‐nitrostyrenes Catalyzed by Mn(OAc)2.
Authors: Zhi Sanjun , An Guanghui , Sun Hao , Han Jianlin , Li Guigen , Pan Yi
Published: July 2010

The reaction of stryrenes (I) proceeds with high regio‐ and stereoselectivity to afford predominantly isomers (III).
ChemInform Abstract: Enantioselective Nitroso Aldol Reaction Catalyzed by QuinoxP*·Silver(I) Complex and Tin Methoxide.
Authors: Yanagisawa Akira , Takeshita Satoshi , Izumi Youhei , Yoshida Kazuhiro
Published: July 2010

The present enantioselective nitroso aldol reaction of various alkenyl trichloroacetates with nitrosoarenes using the Quinox·AgOAc as the chiral catalyst and Bu2Sn(OMe)2 as cocatalyst gives a mixture of optically active α‐aminooxy ketones with high enantioselectivities and α‐hydroxyamino ketones.
ChemInform Abstract: Chemoselectivity of Cobalt‐Catalyzed Carbonylation — A Reliable Platform for the Synthesis of Fluorinated Benzoic Acids.
Authors: Boyarskiy Vadim P. , Fonari Marina S. , Khaybulova Tatiana S. , Gdaniec Maria , Simonov Yurii A.
Published: July 2010

Methoxycarbonylation of polyhalogenated benzene (I) shows that fluorine substitution is not observed.
ChemInform Abstract: Chemoselective Sulfide Oxidation Mediated by Bridged Flavinium Organocatalysts.
Authors: Marsh Barrie J. , Carbery David R.
Published: July 2010

Among 3 derivatives, FLA is found to be the most efficient catalyst for the oxidation of sulfides to sulfoxides.
ChemInform Abstract: Room Temperature Suzuki Reactions in Aqueous Media under Air by Palladium(II) Complexes with Pyrazole Derived Ligands.
Authors: Xu Kai , Hao Xin‐Qi , Gong Jun‐Fang , Song Mao‐Ping , Wu Yang‐Jie
Published: July 2010

The new complexes (I) are stable towards moisture and air.
ChemInform Abstract: Palladium Nanoparticles Captured in Microporous Polymers: A Tailor‐Made Catalyst for Heterogeneous Carbon Cross‐Coupling Reactions.
Authors: Ogasawara Shin , Kato Shinji
Published: July 2010

A new strategy based on polymerization‐induced phase separation techniques is utilized to produce palladium nanoparticles captured in a microporous network polymer.
ChemInform Abstract: RuH2(CO)(PPh3)3‐Catalyzed Arylation of Aromatic Esters Using Arylboronates via C—H Bond Cleavages.
Authors: Kitazawa Kentaroh , Kotani Masashi , Kochi Takuya , Langeloth Michael , Kakiuchi Fumitoshi
Published: July 2010

Ru‐catalyzed arylation of benzoic acid esters with electron‐rich arylboronates proceeds regioselectively at the ortho‐position to give sterically hindered benzoates, e.g. (III), (V) in good yields.
ChemInform Abstract: Highly Enantioselective and Regioselective Conjugate Addition of Nitromethane to 1,5‐Diarylpenta‐2,4‐dien‐1‐ones Using Bifunctional Cinchona Organocatalysts.
Authors: Oliva Cristina G. , Silva Artur M. S. , Paz Filipe A. A. , Cavaleiro Jose A. S.
Published: July 2010

The optimized conditions render possible a good to excellent enantioselectivity for the nitro compounds (III).
ChemInform Abstract: Enantioselective Aldol Reaction of α‐Ketoester and Cyclopentanone Catalyzed by L‐Proline.
Authors: Xiang Jiming , Li Baolin
Published: July 2010

An enantioselective aldol reaction of α‐ketoesters and cyclopentanone catalyzed by L‐proline is described.
ChemInform Abstract: Efficient Synthesis of Azaspirodienones by Microwave‐Assisted Radical Spirocyclization of Xanthate‐Containing Ugi Adducts.
Authors: Gamez‐Montano Rocio , Ibarra‐Rivera Tannya , El Kaim Laurent , Miranda Luis D.
Published: July 2010

By use of a sequential combination of Ugi reaction and microwave‐promoted radical spirocyclization, an efficient protocol for the preparation of five‐ and six‐membered spirolactams is developed.
ChemInform Abstract: Copper(II) Bromide/Boron Trifluoride Etherate‐Cocatalyzed Cyclization of Ketene Dithioacetals and p‐Quinones: A Mild and General Approach to Polyfunctionalized Benzofurans.
Authors: Liu Yingjie , Wang Mang , Yuan Hongjuan , Liu Qun
Published: July 2010

This formal [3+2] cycloaddition provides a general method for catalytic synthesis of polyfunctionalized benzofurans with the advantages of readily available starting materials, cheap catalysts, mild reaction conditions, good yields and wide range of synthetic potential for the benzofuran products.
ChemInform Abstract: A Convenient Approach Towards 2‐ and 3‐Aminobenzo[b]thiophenes.
Authors: Androsov Dmitry A. , Solovyev Andrey Y. , Petrov Mikhail L. , Butcher Ray J. , Jasinski Jerry P:
Published: July 2010

A number of title compounds are prepared in order to test their biological activity.
ChemInform Abstract: Synthesis of 2‐Indolylphosphines by Palladium‐Catalyzed Annulation of 1‐Alkynylphosphine Sulfides with 2‐Iodoanilines.
Authors: Kondoh Azusa , Yorimitsu Hideki , Oshima Koichiro
Published: July 2010

The title reaction affords the 2‐phosphorylated indoles in moderate to excellent yields.
ChemInform Abstract: A Zeolite Promoted Expeditious One‐Pot Synthesis of 1‐Arylmethyl‐4,5‐dihydro‐2‐aryl‐1H‐imidazole.
Authors: Pagadala Ramakanth , Meshram Jyotsna S. , Chopde Himani N. , Panyala Nagender Reddy
Published: July 2010

The microwave‐assisted title reaction is checked against classical thermal conditions.
ChemInform Abstract: Derivatives of Benzimidazole Pharmacophore: Synthesis, Anticonvulsant, Antidiabetic and DNA Cleavage Studies.
Authors: Shingalapur Ramya V. , Hosamani Kallappa M. , Keri Rangappa S. , Hugar Mallinath H.
Published: July 2010

A group of 1,3,4‐oxadiazoles and 4‐thiazolidinones containing a 2‐mercapto‐benzimidazole moiety is synthesized and screened for new lead structures.
ChemInform Abstract: Synthesis and Isomerism of 2‐(3,5‐Diaryl‐1H‐pyrazol‐4‐yl)‐1H‐benzimidazoles.
Authors: Dzvinchuk I. B. , Turov A. V. , Lozinskii M. O.
Published: July 2010

The title compounds are obtained by cyclocondensation of benzimidazoles (I) with benzoylhydrazines.
ChemInform Abstract: An Efficient Potassium Cyanide Promoted Synthesis of 2‐Arylbenzoxazoles from [4.3.0]Boron Heterobicycles.
Authors: Lopez‐Ruiz Heraclio , Briseno‐Ortega Horacio , Rojas‐Lima Susana , Santillan Rosa , Farfan Norberto
Published: July 2010

Treatment of the boron substrates (I) with KCN does not cause addition of cyanide to the double bond, as expected, but leads to formation of 2‐arylbenzoxazole products.
ChemInform Abstract: Synthesis of Heterocycles on the Basis of Arylation Products of Unsaturated Compounds. Part 20. Reaction of 2‐Aryl‐1,4‐benzoquinones with Potassium O‐Butyl Carbonodithioate.
Authors: Martyak R. L. , Obushak N. D. , Matiichuk V. S.
Published: July 2010

The title reaction provides access to benzoxathiole derivatives.
ChemInform Abstract: New Method of Synthesis of β,β′‐Spiropyrrolidinooxindoles.
Authors: Shvets A. A. , Kurbatov S. V.
Published: July 2010

Cycloaddition of isatylidene derivatives (III) with azomethine ylide derived from sarcosine and paraformaldehyde provides the title spiro‐compounds (VI) with complete diastereoselectivity.
ChemInform Abstract: Synthesis of Biologically Active [4‐(4‐Bromophenyl)‐2‐thiazolyl]hydrazones and Their D‐Galactose Derivatives.
Authors: Ramadan El Sayed
Published: July 2010

7 Thiazoles of type (III), (V), or (IX) are prepared and their biological activities are screened.
ChemInform Abstract: Cascade Synthesis of Substituted 4‐Amino‐1,2,4‐triazol‐3‐ones from Aldehyde Hydrazones and Azodicarboxylates.
Authors: Su Yehua , Jiang Zhen , Hong Deng , Lu Ping , Wang Yanguang , Lin Xianfu
Published: July 2010

Reaction of aromatic aldehyde hydrazones with azodicarboxylates in the presence of PPh3 allows an efficient and general access to 4‐aminotriazolones of type (III).
ChemInform Abstract: Synthesis and Biological Activity of Mono‐ and Disubstituted 1,2,4‐Triazole Derivatives.
Authors: Mickevicius Vytautas , Intaite Vida , Voskiene Ausra , Kantminiene Kristina , Stasevych Maryna , Komarovska‐Porokhnyavets Olena , Novikov Volodymyr
Published: July 2010

Novel substituted triazole derivatives are synthesized by condensation reactions of hydrazinocarbonylpyrrolidinones (I) with cyanates or thiocyanates.
ChemInform Abstract: Polycyclic N‐Heterocyclic Compounds. Part 62. Reaction of N‐(Quinazolin‐4‐yl)amidine Derivatives with Hydroxylamine Hydrochloride and Antiplatelet Aggregation Activity of the Products.
Authors: Okuda Kensuke , Zhang Ying‐Xue , Ohtomo Hiromi , Hirota Takashi , Sasaki Kenji
Published: July 2010

Compound (VIII b) exhibits potent platelet aggregation inhibitory activity.
ChemInform Abstract: Chiral Squaramides as Highly Enantioselective Catalysts for Michael Addition Reactions of 4‐Hydroxycoumarins and 4‐Hydroxypyrone to β,γ‐Unsaturated α‐Keto Esters.
Authors: Xu Dan‐Qian , Wang Yi‐Feng , Zhang Wei , Luo Shu‐Ping , Zhong Ai‐Guo , Xia Ai‐Bao , Xu Zhen‐Yuan
Published: July 2010

The first highly enantioselective organocatalytic Michael addition of 4‐hydroxycoumarins is reported.
ChemInform Abstract: Microwave‐Assisted Synthesis of 4‐Amino‐3,5‐dihalopyridines.
Authors: Pichowicz Mark , Crumpler Simon , McDonald Edward , Blagg Julian
Published: July 2010

An efficient and widely applicable method to prepare synthetically important 4‐amino‐3,5‐dihalopyridines is reported.
ChemInform Abstract: Selective Synthesis of N‐Substituted 1,2‐Dihydropyridines from Furans by Copper‐Induced Concurrent Tandem Catalysis.
Authors: Fructos Manuel R. , Alvarez Eleuterio , Diaz‐Requejo M. Mar , Perez Pedro J.
Published: July 2010

First time, mono‐ and dialkyl‐substituted furans are converted into new 1,2‐dihydropyridines (IV) and (VII) upon reaction with PhI=NTs at room temperature whereby, (VII) is quantitatively obtained by transformation of (VI) in the presence of neutral alumina.
ChemInform Abstract: The First Cerium(IV) Ammonium Nitrate (CAN)‐Catalyzed Friedlaender Synthesis of Quinolines in Ionic Liquid.
Authors: Hou Rei‐Sheu , Wang Huey‐Min , Kang Iou‐Jiun , Du Hau‐Dung , Chen Ling‐Ching
Published: July 2010

A variety of substituted quinolines is synthesized under mild conditions by reaction of aminobenzophenones (I) with carbonyl compounds in the presence of CAN as catalyst.
ChemInform Abstract: Synthesis of Some New Pyrazole and Pyrimidine Derivatives Carrying a Sulfonamide Moiety of Expected Antitumor Activity and Study of the Synergistic Effect of γ‐Irradiation.
Authors: Ghorab Mostafa M. , Ragab Fatma A. , Heiba Helmy I. , Youssef Hanan A. , Galal Marwa
Published: July 2010

Several of the new pyrazole and pyrimidine derivatives, e.g. (IIa), (V), (VII), (IX), (XIIa) and (XIVb), are equipotent or even more potent than doxorubicin.
ChemInform Abstract: Synthesis and Biological Activities of Some Novel Triazoloquinazolines and Triazinoquinazolines Containing Benzenesulfonamide Moieties.
Authors: Ghorab Mostafa M. , Ismail Zienab H. , Abdalla Mohamed
Published: July 2010

New compounds (IVb), (VIIIc) and (X) exhibit good antipyretic activities compared to the reference drug acetaminophen, whereas compounds (VIb), (VIIIb) and (XIV) show promising antiinflammatory activities compared to indomethacin.
ChemInform Abstract: Synthesis and Docking Studies of Some Novel Quinoline Derivatives Bearing a Sulfonamide Moiety as Possible Anticancer Agents.
Authors: Ghorab Mostafa M. , Ragab Fatma A. , Hamed Mostafa M.
Published: July 2010

Most of the synthesized novel quinoline and pyrimidoquinoline derivatives show significant anticancer activities against breast cancer cell line.
ChemInform Abstract: Synthesis of Some Novel 2‐Aryl‐Substituted 2,3‐Dihydroquinazolin‐4(1H)‐ones under Solvent‐Free Conditions Using MCM‐41‐SO3H as a Highly Efficient Sulfonic Acid.
Authors: Rostamizadeh Shahnaz , Amani Ali Mohammad , Mahdavinia Gholam Hossein , Sepehrian Hamid , Ebrahimi Samira
Published: July 2010

The zeolite is functionalized by SO3H groups and successfully employed for the synthesis of the title compounds within a short time.
ChemInform Abstract: Microwave‐Assisted Synthesis and Antibacterial Activity of Some Pyrazol‐1‐ylquinoxalin‐2(1H)‐one Derivatives.
Authors: Ajani Olayinka O. , Obafemi Craig A. , Ikpo Chinwe O. , Ogunniran Kehinde O. , Nwinyi Obinna C.
Published: July 2010

A variety of the title pyrazolylquinoxalinone derivatives are synthesized by condensation reactions of hydrazinoquinoxalinone (IV) with β‐diketones, β‐keto esters of cyanoacetate.
ChemInform Abstract: Benzo‐1,2,3,4‐tetrazine 1,3‐Dioxides Annulated with Tetraazapentalene Systems. Part 3. Annulation at the C(7)—C(8) Bond.
Authors: Tyurin A. Yu. , Churakov A. M. , Strelenko Yu. A. , Tartakovsky V. A.
Published: July 2010

Thermolysis of regioisomeric 7‐azido‐8‐triazolylbenzotetrazine dioxides (V) and (VII) affords new heterocyclic systems, viz.
ChemInform Abstract: (Z)‐Selective Intramolecular Horner—Wadsworth—Emmons Reaction for the Synthesis of Macrocyclic Lactones.
Authors: Ando Kaori , Narumiya Kenji , Takada Hirokazu , Teruya Taiji
Published: July 2010

In the presence of NaI and DBU, phosphonates of type (I) and (V) are found to undergo intramolecular Horner—Wadsworth—Emmons reaction with excellent (Z)‐selectivity.
ChemInform Abstract: Synthesis, Spectral Characterization and Bioassay of 3,3′‐(1,4‐Phenylene)‐bis [2‐alkoxycarbonyl‐alkyl‐2‐thio‐benzoxa‐phosphinines].
Authors: Reddy M. Veera Narayana , Krishna A. Bala , Reddy C. Suresh
Published: July 2010

An effective and simple method for the synthesis of title compounds (IV) with phosphorus as additional chiral center is described and the antioxidant activities are examined.