bluuebunny/crossref_metadata_2025 huggingface dataset:
Spektroskopische Untersuchungen an Siliciumverbindungen. III Die Schwingungsspektren der Derivate (CH3)2SiX2
Authors: Kriegsmann Heinrich
Published: November 2023

Die Raman‐ und IR‐Spektren des (CH3)2SiH2, (CH3)2SiF2 und (CH3)2SiBr2 werden mitgeteilt und die Frequenzen den einzelnen Schwingungsformen zugeordnet und die aus der Literatur bekannten Spektren des (CH3)2SiCl2 in die Betrachtung einbezogen.

Es zeigt sich, daß die inneren Schwingungen der CH3‐Gruppen bei alien Molekülen ziemlich lagekonstant sind. Das gleiche gilt für die Si‐C‐Valenzschwingungen. Geringe Abweichungen beim (CH3)2SiH2 werden diskutiert. Die Si‐C‐Deformationsschwingungen bleiben zum Teil ebenfalls konstant, während die Si‐X‐Schwingungen den erwarteten Gang zeigen. Angenäherte Kraftkonstanten für die Si‐X‐Bindungen werden berechnet.
Über das Verhalten photographischer Schichten bei Einwirkung von Wasserstoffperoxyd‐Dampf
Authors: Eggert J. , Yücelen Y.
Published: November 2023

Wasserstoffperoxyd wirkt, wie schon lange bekannt ist, auf unbelichtete und belichtete photographische Schichten unter „Verschleierung”︁ derselben (Russel‐Effekt, 1900) und unter Verflachung der Schwärzungskurve ein. Meistens wurden diese Vorgänge in flüssiger H2O2‐Phase studiert, seltener die Einwirkung von H2O2‐Dampf und nur einmal weist Ebert (1903) darauf hin, daß auch entwickelte Schichten durch gas‐förmiges H2O2 eine charakteristische Veränderung (Bräunung) erleiden.

Die nachfolgende Arbeit liefert an photographischen, mikroskopischen und rein präparativen Versuchen den Nachweis, welche Reaktionen sich am Silberbromid und am Silber bei der H2O2‐Einwirkung abspielen; dadurch finden die an 14 verschiedenen Handelsschichten (Filmen und Papieren) beobachteten photographischen Effekte in großen Zügen ihre Deutung.

Zur Herstellung von Atmosphären mit definiertem H2O2‐Gehalt wurde die Kinetik des spontanen Zerfalls von H2O2‐Dampf bei Zimmertemperatur unter Verwendung einer, auch für die übrigen Versuche dienenden Apparatur untersucht.
Organic Solids and Heterogeneous Catalysis. Electron Transfer in αα‐Diphenyl‐β‐picryl‐hydrazyl
Authors: Eley D. D. , Inokuchi H.
Published: November 2023

The unpaired electrons of the solid free radical αα'‐diphenyl‐β‐picryl‐hydrazyl (D.P.P.H.) convert parahydrogen at low temperatures. The mechanism is the paramagnetic physical mechanism, as absence of the hydrogen‐deuterium exchange reaction rules out dissociative chemisorption of hydrogen molecules by the free valencies. This confirms earlier work. In extension of this, the mobility of the free radical electrons in the solid are determined by A.C. and D.C. conductance measurements. Hydrogen, nitrogen and oxygen do not effect this conductance and are therefore probably not chemisorbed. Hydrogen in the presence of a palladium film lowers the A.C. conductance of a D.P.P.H. film indicating covalency formation with the H atom, a partial electron transfer H ← D.P.P.H. Hydrogen sulphide raises the D.C. conductance of D.P.P.H. powder, suggesting a lowering of intercrystalline barriers by an electron transfer H2S → D.P.P.H. A film of D.P.P.H. deposited on a film of Al or Pd raises the D.C. resistance of the latter, suggesting electron transfer (Al or Pd) ← D.P.P.H.
Über Rydberg‐Serien bei Farbstoffen (III). Anisotropiemessungen und Klassifizierung der Elektronenbanden bei einfachsten Cyaninen
Authors: Scheibe Günter , Kern Julius , Dörr Friedrich
Published: November 2023

Bei Untersuchungen über die Lichtabsorption von Polymethinfarbstoffen konnten bei einem einfachen symmetrischen Pentamethinfarbstoff im Sichtbaren und im nahen UV vier Elektronenbanden mit Sicherheit und eine weitere mit großer Wahrscheinlichkeit nachgewiesen werden. Sie lassen sich nach ihrer Polarisationsrichtung ‐ parallel und senkrecht zur langen Molekülachse ‐ in zwei Folgen einreihen, für die eine Klassifizierung als A1 → B1 und A1 → A1‐Übergänge auf Grund der Symmetrie des Moleküls (C2v) gegeben wird. Weiterhin wird auf eine Ähnlichkeit dieser Bandenfolgen mit den Rydberg‐Serien von Atomen hingewiesen. Die Veränderungen in der relativen Intensität der den längstwelligen Elektronenbanden zugehörenden Schwingungsübergänge innerhalb einer homologen Farbstoff‐Reihe läßt auf eine Lockerung des π‐Bindungssystems im angeregten Zustand schließen, deren Wirkung mit zunehmender Zahl der Methingruppen geringer wird.
Molecular motion in aqueous mixtures with organic liquids by nmr relaxation measurements
Authors: Goldammer E. V. , Zeidler M. D.
Published: November 2023

Measurements of the nmr spin‐lattice relaxation time T1 and of the self‐diffusion coefficient were performed for the organic component, and in some cases for the aqueous component, in binary mixtures of water with an organic liquid over the whole composition range at 25 °C. By isotopic substitution of one component and measurement of either the proton or deuteron resonance, the intramolecular and intermolecular contributions to the relaxation rates including that of water could be separated. From these data the reorientation time which is characteristic of the molecular motion is calculated and the behaviour of the intermolecular contribution is discussed. Comparison of the reorientation times for both components in the mixture leads to informations concerning intermolecular forces in the liquid.
Optisch‐elektronisches Verfahren zur Messung hoher Gastemperaturen. Teil I: Absorptionsverfahren
Authors: Huster R. , Kisch D. , Mahnig M.
Published: November 2023

Es wird ein Verfahren beschrieben, das es gestattet, die Temperatur von Flammengasen kontinuierlich anzuzeigen oder zu registrieren. Das Verfahren wurde aus der Linienumkehrmethode entwickelt, arbeitet aber im Gegensatz dazu mit fester Temperatur des Vergleichsstrahlers. Abwechselnd werden die Intensität einer aus der Flamme emittierten Resonanzlinie und die Absorption dieser Linie aus der Vergleichsstrahlung gemessen. Ein Analogrechner bildet den Logarithmus des Verhältnisses dieser Größen, der in einem größeren Bereich in guter Näherung eine lineare Funktion der Gastemperatur ist. Für das Meßgerät werden eine Röhrenschaltung sowie ein Aufbau mit Operationsverstärkern beschrieben.
Zur Konformationsumwandlung von Polymethacrylsäure in wäßriger Lösung
Authors: Schäfer Ortwin , Schönert Hansjügen
Published: November 2023

Das anomale Titrationsverhalten von Polymethacrylsäure (PMA) wurde bei verschiedenen Eigenkonzentrationen, Fremdsalzkonzentrationen (Kaliumchlorid und Natriumnitrat) und Temperaturen (11–39 °C) potentiometrisch untersucht. Es wurde gefunden, daß die Ergebnisse mit der Vorstellung von einer Konformationsänderung im Einklang stehen. Eine thermodynamische Auswertung zeigt einen beträchtlichen Temperatureinfluß auf das Gleichgewicht zwischen der geknäuelten und der gestreckten Konformation. Die Bedeutung eines Entropieeffektes wird diskutiert.

Außerdem wurden einige Messungen der kinematischen Viskosität v durchgeführt. Trägt man v als Funktion des Dissoziationsgrades α auf, so wird in Übereinstimmung mit den potentiometrischen Meßergebnissen das Einsetzen der Konformationsumwandlung bei einem α‐Wert von etwa 0,13 als deutlicher Knick erkennbar.
MO‐LCAO‐Berechnungen an schwefelhaltigen π‐Elektronensystemen. 19. Mitteilung: PPP ‐ und MIM‐Berechnungen an Thiophenolen, Phenolen und Anilinen
Authors: Hartmann Horst , Fabian J.
Published: November 2023

Es wird der Versuch unternommen, die π‐Elektroneneigenschaften der monosubstituierten Benzole (1) nach dem PPP‐ und dem MIM‐Verfahren unter Verwendung eines einheitlichen Parametersatzes zu berechnen. Ein Vergleich der Ergebnisse beider Verfahren zeigt, daß im Falle von Thiophenol und Thioanisol ähnlich gute Ergebnisse erhalten werden, während bei Verbindungen mit stark koppelnden Substituenten größere Abweichungen auftreten und daher nur der PPP‐Ansatz zu brauchbaren Resultaten führt.
Anwendung des Bilddifferenzverfahrens auf die Untersuchung von Strukturänderungen dünner Kohlefolien bei Elektronenbestrahlung
Authors: Langer R. , Frank J. , Feltynowski A. , Hoppe W.
Published: November 2023

Elektronenmikroskopische Präparate verändern sich während ihrer Untersuchung im Mikroskop durch Kontamination, Objektabbau und unmittelbare Strahlenschädigung. Diese Vorgänge wurden im Elektronenmikroskop bisher nur integral untersucht, etwa durch Bestimmung der zeitlichen Änderung der Massendicke des Präparates oder, bei kristallinen Objekten, der Reflexintensitäten im Beugungsdiagramm. Im Gegensatz zu diesen Methoden erlaubt das Bilddifferenzverfahren [1], die mit diesen Vorgängen verbundenen Bildänderungen dünner Objekte bis hinab zu Einzelheiten von der Größe des Auflösungsvermögens des Mikroskops zu studieren.

Wir bestimmten derartige Änderungen bei dünnen amorphen Kohlefolien und Graphitlamellen: Es wurden Bilder dieser Objekte zu verschiedenen Zeiten und nach unterschiedlicher Strahlendosis unter gleichen elektronenoptischen Bedingungen bei höchster Auflösung photographisch registriert. Durch Abrasterung der photographischen Aufnahmen mit einem automatischen Mikrophotometer wurden die Schwärzungsverteilungen in digitaler Form erfaßt. Die weitere Bildauswertung bis hin zur Berechnung des Differenzbildes aus zwei verschiedenen Aufnahmen und der Rekonstruktion des fehlerfreien Bildes [6] erfolgte mit Hilfe einer IBM‐Rechenmaschine vom Typ 360/91.
An Electrostatic Phase Plate for the Electron Microscope
Authors: Unwin P. N. T.
Published: November 2023

It is shown how to construct a simple electrostatic device for use in the electron microscope as an absorbing phase plate. The application of this device is illustrated by examining some negatively stained biological specimens, and results indicate that it can provide significant improvements in contrast and signal/noise ratio over normal bright field images without loss in resolution.
An Experimental Transmission Electron Microscope Design for Observation of Molecular Structure of Biogenic Macromolecules
Authors: Siegel Benjamin M.
Published: November 2023

The design features of an experimental transmission electron microscope employing an ultra high vacuum column, field emission gun and superconducting objective lens are described. The limitations on observations of the information in images at a level required for the determination of molecular structure of biogenic macromolecules are set by the characteristics of the biological specimen and the “noise” inherent in specimen preparation as well as the instrumental imaging and recording capabilities. These several factors are discussed.
Neutron Diffraction Analysis of Biological Structures
Authors: Schoenborn B. P. , Nunes A. C. , Nathans R. , Schoenborn B. P.
Published: November 2023

The advantageous use of neutron diffraction for the determination of biological structures is discussed. Differences between × ray and neutron diffraction are used to obtain structural information on membranes. The 2.0 Å neutron diffraction analysis of myoglobin is described stressing the general advantages of neutron diffraction. At the end, a brief description of a novel “data collection” scheme using a “Laue” type technique is given.
The transport properties of concentrated aqueous solutions of silver nitrate
Authors: Roessler N. , Schneider H.
Published: November 2023

An experimental technique is presented which enables the determination of transference numbers by the Hittorf method even in very concentrated solutions. The transference numbers of silver nitrate in aqueous solutions were measured up to a concentration of 14 molal. The transport coefficients of this system were then calculated using the formalism of non‐equilibrium thermodynamics.
The photocurrent at the interface between a molecular crystal and an electrolyte in presence of quenching of excitons by a species in solution
Authors: Mehl W. , Hale J. M.
Published: November 2023

The rate constant for the quenching of excited molecular states at the interface between a molecular crystal and an aqueous electrolyte was determined from photoinjection experiments. The situation was analysed in which radiation passes through an electrolyte that forms one of the electric contacts to the crystal. It is assumed that excitons generated by absorption of photons within the solid diffuse to the crystal/solution interface and there react with charge and energy acceptor species in solution. The quantum efficiency of the charge separation reaction was determined from the limiting photocurrent and compared with the value which would be expected in the absence of quenching. The quenching rate constant thus determined was compared with a value derived from the application of Förster's treatment of resonance energy transfer upon quenching at the interface between a solid and an electrolyte. It was shown that at the interface between an anthracene electrode and a solution of Na2IrCl6 virtually all the energy of the excitons is transferred to the IrCl62− by resonance energy transfer.
Electrical Resistance of Black Lipid Membranes in the Presence of Crystal Violet
Authors: Kübel Martin
Published: November 2023

The resistance of black spherical lipid membranes decreases linearly with increasing concentration of crystal violet (CV). This decrease is not influenced by the variation of the electrolyte concentration or of pH in the aqueous membrane bathing solutions. When the CV‐concentrations on the two sides of the membrane are different, an electric potential characteristic of a CV‐selective membrane is created.
On Statistical Theories of Nematic Liquid Crystals
Authors: Saupe Alfred
Published: November 2023

Thermotropic nematics and nematic suspensions are considered and two corresponding statistical approaches reviewed: The mean field treatment and Onsagers approach using a cluster integral expansion. Definitions of nematic order parameters and general expressions for mean field potentials are given and structural concepts and interaction models discussed.

The formation of a nematic state in suspensions is directly related to the anisometric shape of the particles. In thermotropic nematics, the angular dependence of dispersion interactions seems to be a dominating factor, but it is at present not possible to assess theoretically the influence of the anisometric shape.
Inversionswände in dielektrisch deformierten Flüssigkristallschichten
Authors: Stieb A. , Baur G. , Meier G.
Published: November 2023

Es wurden Inversionswände in dielektrisch deformierten nematischen Flüssigkristallschichten mit planarer Randorientierung untersucht. Die nematische Substanz war die Estermischung WI von Merck, die bei relativ niedrigen Frequenzen einen Vorzeichenwechsel der dielektrischen Anisotropie besitzt. Ausgehend von einer periodischen Deformationsstruktur, die in der Nähe der dielektrischen Isotropiefrequenz auftritt, wurden Inversionswände erzeugt, die Bereiche mit gegensinniger Fréedericks deformation voneinander trennen. Die Wände weichen in einigen Eigenschaften von den durch andere Autoren beobachteten Wänden dieser Art ab. Es wird versucht, diese Eigenschaften durch ein neues Wandmodell zu erklären.
Flüssig‐kristalline Zustände in künstlichen und biologischen Membranen
Authors: Sackmann E.
Published: November 2023

Wässrige Dispersionen von Phospholipiden zeigen sowohl lyotropen als auch thermotropen Polymorphismus. Außerordentlich wichtig ist dabei die lamellare Phase, die als einfachstes Modell biologischer Membranen angesehen werden kann. Die bimolekularen Lamellen zeigen einen thermotropen kristallin → flüssig kristallinen Phasenübergang, der dem Übergang smektisch A nach smektisch B vergleichbar ist. Die Umwandlung ist durch thermisch induzierte Bildung von Rotationsisomeren in den Kohlenwasserstoffketten verursacht. Die Bildung hoch beweglicher “Kinken” oberhalb der Phasenumwandlung führt zu einer hohen Fluidität im Inneren der Membran, ohne daß ihre äußere Gestalt zerstört wird. Die Lipidumwandlung kann auch durch Änderung des pH und durch Zugabe von Ionen “getriggert” werden. Oberhalb der Umwandlung können Phospholipide und andere membrangebundene Moleküle eine äußerst schnelle laterale Diffusion ausführen (Größenordnung der Driftgeschwindigkeit ∼ 50000 Å/sec). Gemischte Membranen aus verschiedenen Lipiden zeigen oft eine Mosaikstruktur, d. h. sie sind aus Domänen verschiedener Lipidzusammensetzung aufgebaut. Vergleichende Untersuchungen an künstlichen und biologischen Membranen zeigen, daß der Lipidanteil der letzteren zumindest teilweise, in der Form kontinuierlicher bimolekularen (oder monomolekularen) Lamellen vorliegt. Ein Teil der Proteine ist in die biologischen Membranen eingebaut, aber innerhalb der Membran sehr frei in ihrer lateralen (Laterale Driftgeschwindigkeit ∼ 5000 Å/sec) und rotatorischen (Korrelationszeit rot 50 μ sec) Beweglichkeit. Biologische Membranen aus Lipiden, die vorwiegend eine Art von Kohlenwasserstoffketten enthalten, zeigen ebenfalls eine scharfe Phasenumwandlung. Vergleichende Untersuchungen an künstlichen und biologischen Membranen zeigen eindeutig, daß der flüssig kristalline Zustand eine wesentliche Voraussetzung für die biologische Funktionsfähigkeit der Membranen ist.
NMR Studies of Water Self‐diffusion in the Lamellar Phase
Authors: Tiddy G. J. T. , Hayter J. B. , Hecht A. M. , White J. W.
Published: November 2023

The dependence of water self‐diffusion coefficients measured by NMR on sample composition is reported for lamellar phases of ammonium perfluoro‐octanoate (APFO) and caesium perfluoro‐octanoate (CsPFO) at 296 K. For APFO the results were not very reproducible, and a detailed examination of the effect of different measurement variables on the results was made. Comparison of the data with measurements made by neutron scattering indicates that diffusion across the alkyl chain region of the lipid bilayer is rapid at high water mol fractions.
Work‐related factors and risk of amyotrophic lateral sclerosis: A multivariable Mendelian randomization study
Authors: Li Ming , Liao Yile , Luo Zhangkun , Song Hongfei , Yang Zhi
Published: November 2023

Background

The causal relationship between work‐related factors and amyotrophic lateral sclerosis (ALS) is unclear. We used a Mendelian randomization (MR) analysis to investigate the unconfounded association between work‐related factors and ALS.

Methods

Univariable MR analyses were conducted to evaluate the causal effects of work‐related factors on ALS. Instrumental variables from the UK Biobank on work‐related factors (n = 263,615) were used as proxies. The outcome dataset used ALS (n case = 20,806, n control = 59,804) summary‐level data from a large‐scale genome‐wide association study based on European ancestry. MR analysis used inverse variance weighted (IVW), MR‐Egger, and weighted median (WM) to assess causal effects and other methods of MR for sensitivity analysis. Further multivariable MR analyses were performed to explore potential mediating effects.

Results

In univariable MR, IVW methods support evidence that genetically determined job involves heavy manual or physical work (OR = 2.04, 95% CI: 1.26–3.31; p = .004) was associated with an increased risk of ALS, and the WM methods also confirm this result (OR = 2.36, 95% CI: 1.30–4.28; p = .005). No evidence of heterogeneity or horizontal pleiotropy was found in the results. In multivariable MR, the association was absent after adjusting for smoking and blood pressure.

Conclusions

Our MR analysis results demonstrate the potential causal relationship between jobs that involve heavy manual or physical work and ALS, which might be mediated by smoking and high systolic blood pressure.
Can business managerial capacity improve green innovation in different industries? Evidence from Chinese listed companies
Authors: Hao Xiaoli , Wen Shufang , Zhu Jianing , Wu Haitao , Hao Yu
Published: November 2023

As the backbone of the national innovation system, enterprises are the key drivers of economic development and environmental sustainability. However, at the microlevel, research in this area is lacking, as attention is paid on the comprehensive capabilities of top managers, industrial heterogeneity, and heterogeneous green innovation (GI), including inventive innovation and utility innovation. Based on Upper Echelons Theory, this paper constructs a research framework to explore and empirically analyze the specific impact of managerial capacity (MA) of top managers, as “gatekeepers” of enterprise decision‐making, on the heterogeneous enterprise GI, as well as its potential mechanism. Our results shows that (1), overall, MA can significantly promote GI of enterprises. Interestingly, compared with green strategic innovation, managerial capacity has a greater effect on green inventive innovation; (2) based on industrial heterogeneity, in heavy‐polluting industries, managerial capacity is more likely to promote green strategic innovation rather than green inventive innovation; (3) further analysis shows that enterprise value, internal control quality, and financing constraints are important mechanisms; and (4) the moderating effect of external environment shows that to some extent either the regional marketization level or management capabilities can drive GI. This paper has practical implications for policymakers and corporate managers adopting the management heterogeneity perspective and suggests areas for future studies in this field to promote green low‐carbon transition.
Surface‐amorphized nickel sulfide with boosted electrochemical performance for aqueous energy storage
Authors: Wang Haiyang , Liang Miaomiao , Li Min , Qu Yang , Miao Zongcheng
Published: November 2023

The ingenious structural design of electrode materials has a great influence on boosting the integrated conductivity and improving the electrochemical behavior of energy storage equipment. In this work, a surface‐amorphized sandwich‐type Ni3S2 nanosheet is synthesized by an easy hydrothermal and solution treatment technique. Because of the in‐built defect‐rich feature of the amorphous Ni3S2 layer, the constructed crystalline/amorphous heterointerface as well as dual nanopore structure of Ni3S2 nanosheet, the electron/ion transport and interfacial charge transfer is boosted, which contribute to high ionic conductivity and low resistance of the SA‐Ni3S2 electrode. The SA‐Ni3S2 electrode shows high specific capacitance (1767.6 F g−1 at 0.5 A g−1); the SA‐Ni3S2//AC device delivers high specific capacitance (131.2 F g−1 at 0.2 A g−1) and outstanding cycle stability (75% capacitance retention after 10000 cycles). In Ni‐Zn battery measurement, the SA‐Ni3S2//Zn exhibits satisfying specific capacity (211.2 mAh g−1 at 0.5 A g−1) and cycle durability (68% capacity decay after 2000 cycles). The results imply that the rational design of surface‐amorphized heterostructure is helpful for fabrication of electrode materials with high electrochemical performance in energy storage applications.
Real‐world outcomes of 18,186 metastatic solid tumor outpatients: Baseline blood cell counts correlate with survival after immune checkpoint inhibitor therapy
Authors: Goldschmidt Jerome H. , Chou Lin‐Na , Chan Philip K. , Chen Liwei , Robert Nicholas , Kinsey Joyce , Pitts Katherine , Nestor Matt , Rock Edwin P. , Lazarus Hillard M.
Published: November 2023

Background

Patient survival in advanced/metastatic melanoma, non‐small cell lung cancer (NSCLC), and renal cell carcinoma (RCC) has improved with immune checkpoint inhibitors (ICI). Biomarkers' role in prognosis and treatment has been limited by conflicting trial results.

Methods

This retrospective, observational study analyzed baseline demographic, clinical, laboratory, and treatment data versus outcomes of The US Oncology Network adult outpatients. Patients with advanced/metastatic melanoma, NSCLC, or RCC treated between January 1, 2015 and November 30, 2020 were given ICI monotherapy or combination therapy with ipilimumab, pembrolizumab, nivolumab, or atezolizumab. Treatment outcomes (overall survival [OS], time to treatment discontinuation, time to next treatment) were followed longitudinally until May 31, 2021, last patient record, or date of death. Baseline blood cell counts, including absolute monocyte count (AMC), absolute lymphocyte count (ALC), monocyte‐to‐lymphocyte ratio (MLR), absolute neutrophil count (ANC), and eosinophil count, were subdivided into quintiles for univariate and multivariable Cox regression analyses.

Results

Data from 18,186 patients with advanced/metastatic melanoma (n = 3314), NSCLC (n = 12,416), and RCC (n = 2456) were analyzed. Better OS correlated with increased baseline serum albumin concentration, increased eosinophil and lymphocyte counts, and Western United States physician practice location. Decreased OS correlated with increased AMC, MLR, ANC, age, and worse Eastern Cooperative Oncology Group performance status.

Conclusions

To our knowledge, this study is the largest to date to associate baseline survival indicators and outcomes in outpatients with advanced/metastatic melanoma, NSCLC, or RCC and receiving ICIs. Results may inform disease‐specific prognostic models and help providers identify patients most likely to benefit from ICI therapy.
Imaging‐proteomic analysis for prediction of neoadjuvant chemotherapy responses in patients with breast cancer
Authors: Duan Jingxian , Zhao Yuanshen , Sun Qiuchang , Liang Dong , Liu Zaiyi , Chen Xin , Li Zhi‐Cheng
Published: November 2023

Background

Optimizing patient selection for neoadjuvant chemotherapy in patients with breast cancer remains an unmet clinical need. Quantitative features from medical imaging were reported to be predictive of treatment responses. However, the biologic meaning of these latent features is poorly understood, preventing the clinical use of such noninvasive imaging markers. The study aimed to develop a deep learning signature (DLS) from pretreatment magnetic resonance imaging (MRI) for predicting responses to neoadjuvant chemotherapy in patients with breast cancer and to further investigate the biologic meaning of the DLS by identifying its underlying pathways using paired MRI and proteomic sequencing data.

Methods

MRI‐based DLS was constructed (radiogenomic training dataset, n = 105) and validated (radiogenomic validation dataset, n = 26) for the prediction of pathologic complete response (pCR) to neoadjuvant chemotherapy. Proteomic sequencing revealed biological functions facilitating pCR (n = 139). Their associations with DLS were uncovered by radiogenomic analysis.

Results

The DLS achieved a prediction accuracy of 0.923 with an AUC of 0.958, higher than the performance of the model trained by transfer learning. Cellular membrane formation, endocytosis, insulin‐like growth factor binding, protein localization to membranes, and cytoskeleton‐dependent trafficking were differentially regulated in patients showing pCR. Oncogenic signaling pathways, features correlated with human phenotypes, and features correlated with general biological processes were significantly correlated with DLS in both training and validation dataset (p.adj < 0.05).

Conclusions

Our study offers a biologically interpretable DLS for the prediction of pCR to neoadjuvant chemotherapy in patients with breast cancer, which may guide personalized medication.
Visual complexity in product design: How does the degree of elaborateness of the front‐pack image impact consumers' responses?
Authors: Pleyers Gordy
Published: November 2023

Previous studies have documented the decisive impact of various product design elements on consumers' attitudes and decisions. However, research is missing on the impact of visual complexity. Using four studies that consider wine and perfume products, the present research manipulates visual complexity by focusing on the degree of elaborateness of front‐pack images. Using an affective priming task as an implicit technique, more positive automatically activated affective responses are shown for lower complexity designs (Study 1), in line with a processing‐fluency account. However, explicit measures show that higher complexity is associated with greater product evaluations (regarding esthetics, quality, prestige, trustworthiness, acceptable price, and purchase intention; Studies 2 and 3). In addition, more pronounced effects emerge for participants with higher sensitivity to design (Study 3). Finally, using an alternative implicit technique that does not involve very brief presentations of the products (implicit association test (IAT); Study 4), the association between higher complexity and product evaluation is also found under conditions of automaticity. Overall, this research provides insights into the diverging affective and cognitive effects of visual complexity. It suggests that the positive effect of lower complexity through higher processing fluency is restricted to responses that are affective and generated under conditions of automaticity that involve particularly low‐level processes. It also suggests that priming techniques based on very short presentations of the products' visuals may be unsuitable for examining responses to fairly complex concepts such as consumer products. On the whole, this research emphasizes that design complexity should receive more attention from consumer researchers and marketers.
Chemical Characterization of the Precipitate Found in and Its Effect on Drug Release of the Scutellaria baicalensis‐Coptis chinensis Extract
Authors: Kim Han‐Young , Kim Jung‐Hoon
Published: November 2023

Precipitate generation is a challenging issue during the production of herbal decoction as it affects the stability and bioavailability of active compounds. Here we explored the composition of the natural precipitate formed from and its effect on drug release of Scutellaria baicalensis‐Coptis chinensis paired extract (SCPE). Furthermore, the surface morphology of the SCPE precipitate was also investigated. Ultra‐performance liquid chromatography‐mass spectrometry (UPLC‐MS) was used to chemical component analysis and field emission scanning electron microscope (FE‐SEM) was performed to particle observation. Baicalin (BA), berberine (BBR) and starch‐arginine‐rich polymers were abundant in the SCPE precipitate. FE‐SEM micrographs showed spheroidal shaped particles in the SCPE supernatant, while spherical and porous tissue‐shaped particles in the SCPE precipitate. In vitro drug release of baicalin and berberine contained in the precipitate may increase as the polymer is removed. The presence of polymer‐related interactions were confirmed by the greater increase in solubility of baicalin upon addition of arginine and polymer. This was also supported by the solubility decrease of the BA‐BBR complex in polymer solution and the gelation of the BA‐BBR complex in arginine solution. Our results provide a scientific basis for elucidating the pharmaceutical properties of the decoction of S. baicalensis‐C. chinensis‐based herbal medicine.
Recent Advances in RNA‐Targeted Cancer Therapy
Authors: Li Miao , Zhu Jinfeng , Lv Zhengzhong , Qin Hongni , Wang Xiaoyan , Shi Haibin
Published: November 2023

Ribonucleic acid (RNA) plays a pivotal role in gene regulation and protein biosynthesis. Interfering the physiological function of key RNAs to induce cell apoptosis holds great promise for cancer treatment. Many RNA‐targeted anti‐cancer strategies have emerged continuously. Among them, RNA interference (RNAi) has been recognized as a promising therapeutic modality for various disease treatments. Nevertheless, the primary obstacle in siRNA delivery‐escaping the endosome and crossing the plasma membrane severely impedes its therapeutic potential. Thus far, a variety of nanosystems as well as carrier‐free bioconjugation for siRNA delivery have been developed and employed to enhance the drug delivery and anti‐tumor efficiency. Besides, the use of small molecules to target specific RNA structures and disrupt their function, along with the covalent modification of RNA, has also drawn tremendous attention recently owing to high therapeutic efficacy. In this review, we will provide an overview of recent progress in RNA‐targeted cancer therapy including various siRNA delivery strategies, RNA‐targeting small molecules, and newly emerged covalent RNA modification. Finally, challenges and future perspectives faced in this research field will be discussed.
Assessment of the safety of nivolumab in people living with HIV with advanced cancer on antiretroviral therapy: the AIDS Malignancy Consortium 095 Study
Authors: Rajdev Lakshmi , Jackie Wang Chia‐Ching , Joshi Himanshu , Lensing Shelly , Lee Jeannette , Ramos Juan Carlos , Baiocchi Robert , Ratner Lee , Rubinstein Paul G. , Ambinder Richard , Henry David , Streicher Howard , Little Richard F. , Chiao Elizabeth , Dittmer Dirk P. , Einstein Mark H. , Cesarman Ethel , Mitsuyasu Ronald , Sparano Joseph A. ,   for the AIDS Malignancy Consortium
Published: November 2023

Background

Although immunotherapy has emerged as a therapeutic strategy for many cancers, there are limited studies establishing the safety and efficacy in people living with HIV (PLWH) and cancer.

Methods

PLWH and solid tumors or Kaposi sarcoma (KS) receiving antiretroviral therapy and a suppressed HIV viral load received nivolumab at 3 mg/kg every 2 weeks, in two dose deescalation cohorts stratified by CD4 count (stratum 1: CD4 count > 200/µL and stratum 2: CD4 count 100–199/µL). An expansion cohort of 24 participants with a CD4 count > 200/µL was then enrolled.

Results

A total of 36 PLWH received nivolumab, including 15 with KS and 21 with a variety of other solid tumors. None of the first 12 participants had dose‐limiting toxicity in both CD4 strata, and five patients (14%) overall had grade 3 or higher immune related adverse events. Objective partial response occurred in nine PLWH and cancer (25%), including in six of 15 with KS (40%; 95% CI, 16.3–64.7). The median duration of response was 9.0 months overall and 12.5 months in KS. Responses were observed regardless of PDL1 expression. There were no significant changes in CD4 count or HIV viral load.

Conclusions

Nivolumab has a safety profile in PLWH similar to HIV‐negative subjects with cancer, and also efficacy in KS. Plasma HIV remained suppressed and CD4 counts remained stable during treatment and antiretroviral therapy, indicating no adverse impact on immune function.

Trial Registration

ClinicalTrials.gov Identifier: NCT02408861.
Generation of synthetic aortic valve stenosis geometries for in silico trials
Authors: Verstraeten Sabine , Hoeijmakers Martijn , Tonino Pim , Brüning Jan , Capelli Claudio , van de Vosse Frans , Huberts Wouter
Published: November 2023

In silico trials are a promising way to increase the efficiency of the development, and the time to market of cardiovascular implantable devices. The development of transcatheter aortic valve implantation (TAVI) devices, could benefit from in silico trials to overcome frequently occurring complications such as paravalvular leakage and conduction problems. To be able to perform in silico TAVI trials virtual cohorts of TAVI patients are required. In a virtual cohort, individual patients are represented by computer models that usually require patient‐specific aortic valve geometries. This study aimed to develop a virtual cohort generator that generates anatomically plausible, synthetic aortic valve stenosis geometries for in silico TAVI trials and allows for the selection of specific anatomical features that influence the occurrence of complications. To build the generator, a combination of non‐parametrical statistical shape modeling and sampling from a copula distribution was used. The developed virtual cohort generator successfully generated synthetic aortic valve stenosis geometries that are comparable with a real cohort, and therefore, are considered as being anatomically plausible. Furthermore, we were able to select specific anatomical features with a sensitivity of around 90%. The virtual cohort generator has the potential to be used by TAVI manufacturers to test their devices. Future work will involve including calcifications to the synthetic geometries, and applying high‐fidelity fluid–structure‐interaction models to perform in silico trials.
Heat Capacity Function, Enthalpy of Formation and Absolute Entropy of Mg(AlH4)2
Authors: Habermann Franziska , Wirth Anneliese , Burkmann Konrad , Störr Bianca , Seidel Jürgen , Gumeniuk Roman , Bohmhammel Klaus , Mertens Florian
Published: November 2023

In this investigation, we set out first to characterize the thermodynamics of Mg(AlH4)2 and secondly to use the determined data to reevaluate and update existing estimation procedures for heat capacity functions, enthalpies of formation and absolute entropies of alanates. Within this study, we report the heat capacity function of Mg(AlH4)2 in the temperature range from 2 K to 370 K and its enthalpy of formation and absolute entropy at 298.15 K, being
 kJ mol−1 and 133.06 J (K mol)−1, respectively. Using these values, we updated and expanded methods for the estimation of thermodynamic data of alanates.
First Principle Investigations on Structural, Mechanical, Electronic, And Thermoelectric Properties of XCoP (XTi, Zr, Hf) Half Heusler Alloys for Energy Recovery Application
Authors: Klinton Brito K. , Shobana Priyanka D. , Srinivasan M. , Ramasamy P.
Published: November 2023

XCoP (XTi, Zr, Hf) half Heusler alloys are investigated through density functional theory in stable non‐magnetic phase. The exchange‐correlation functional Generalized Gradient Approximation (GGA) is used to study these alloys. The equilibrium lattice constants and corresponding ground state energies of the studied alloys are calculated in stable γ‐phase. All these three reported alloys exhibit semiconducting behavior with corresponding bandgap values of 1.40, 1.29, and 1.38 eV for TiCoP, ZrCoP, and HfCoP, respectively. The studied alloys are mechanically stable and ductile in nature. The obtained thermoelectric figure of merit for p‐type TiCoP, ZrCoP and HfCoP are 0.5, 0.6, and 0.7 at 1200 K. Similarly, the figure of merit obtained for n‐type TiCoP, ZrCoP, HfCoP are 0.54, 0.37, and 0.31, respectively, at the same temperature. The investigated favorable transport properties of these alloys show that they are the potential candidates for waste heat energy harvesting application.
Dominance of the coral Pocillopora acuta around Phuket Island in the Andaman Sea, Thailand
Authors: Fiesinger Anna , Held Christoph , Schmidt Andrea L. , Putchim Lalita , Melzner Frank , Wall Marlene
Published: November 2023

Pocillopora damicornis (Linnaeus, 1758), a species complex, consists of several genetic lineages, some of which likely represent reproductively isolated species, including the species Pocillopora acuta Lamarck, 1816. Pocillopora acuta can exhibit similar morphological characteristics as P. damicornis, thus making it difficult to identify species‐level taxonomic units. To determine whether the P. damicornis‐like colonies on the reefs in the Andaman Sea (previously often identified as P. damicornis) consist of different species, we sampled individual colonies at five sites along a 50 km coastal stretch at Phuket Island and four island sites towards Krabi Province, Thailand. We sequenced 210 coral samples for the mitochondrial open reading frame and identified six distinct haplotypes, all belonging to P. acuta according to the literature. Recently, P. acuta was observed to efficiently recolonize heat‐damaged reefs in Thailand as well as globally, making it a potentially important coral species in future reefs. Specifically in the light of global change, this study underscores the importance of high‐resolution molecular species recognition, since taxonomic units are important factors for population genetic studies, and the latter are crucial for management and conservation efforts.
Ivabradine could not decrease mitral regurgitation triggered atrial fibrosis and fibrillation compared with carvedilol
Authors: Lee Wei‐Chieh , Lin Yu‐Wen , Shih Jhih‐Yuan , Chen Zhih‐Cherng , Wu Nan‐Chun , Chang Wei‐Ting
Published: November 2023

Background

Ivabradine, a medical treatment for heart failure (HF), reduces heart rate (HR) and prolongs diastolic perfusion time. It is frequently prescribed to patients with HF who have a suboptimal response or intolerance to beta‐blockers. Degenerative mitral regurgitation (MR) is a valvular heart disease often associated with the development of HF and atrial fibrillation (AF). However, studies comparing the effects of ivabradine and beta‐blockers on MR are lacking. Therefore, this study aimed to explore the potential therapeutic effects of ivabradine and carvedilol on MR using a rat model.

Methods and results

Using a novel echo‐guided mini‐invasive surgery, MR was created in 12‐weeks‐old Sprague–Dawley rats. After 2 weeks, the rats were randomized to receive either ivabradine or carvedilol for 4 weeks. Echocardiography was performed at baseline and at two‐week intervals. Following haemodynamic studies, postmortem tissues were analysed. Notably, the MR‐induced myocardial dysfunction did not improve considerably after treatment with ivabradine or carvedilol. However, in haemodynamic studies, pharmacological therapies, particularly carvedilol, mitigated MR‐induced chamber dilatation (end‐systolic volume and end‐diastolic volume; MR vs. MR + Carvedilol; P < 0.05) and decreased compliance (end‐systolic pressure–volume relationship; MR vs. MR + Carvedilol; P < 0.05). Compared with ivabradine, a shorter duration (MR vs. MR + Carvedilol; P < 0.05) and reduced inducibility (MR vs. MR + Carvedilol and MR vs. MR + Ivabradine; P < 0.05) of AF were observed in MR rats treated with carvedilol. Similarly, reduced cardiac fibrosis and apoptosis were observed in the MR rat model in the treatment groups, especially in those treated with carvedilol (MR vs. MR + Carvedilol; P < 0.01).

Conclusions

Although both ivabradine and carvedilol, at least in part, mitigated MR‐induced chamber dilatation and decreased compliance, carvedilol had a better effect on reversing MR‐induced cardiac fibrosis, apoptosis, and arrhythmogenesis than ivabradine. When compared with Ivabradine, MR rats treated with carvedilol exhibited a shorter duration and reduced inducibility of AF, thus providing more effective suppression of HCN4. Further investigations are required to validate our findings.
Clonality, trafficking, and molecular alterations among Hprt mutant T lymphocytes isolated from control mice versus mice treated with N‐ethyl‐N‐nitrosourea
Authors: Judice Stephen A. , Sussman Hillary E. , Walker Dale M. , O'Neill J. Patrick , Albertini Richard J. , Walker Vernon E.
Published: November 2023

Mutations in T lymphocytes (T‐cells) are informative quantitative markers for environmental mutagen exposures, but risk extrapolations from rodent models to humans also require an understanding of how T‐cell development and proliferation kinetics impact mutagenic outcomes. Rodent studies have shown that patterns in chemical‐induced mutations in the hypoxanthine‐guanine phosphoribosyltransferase (Hprt) gene of T‐cells differ between lymphoid organs. The current work was performed to obtain knowledge of the relationships between maturation events during T‐cell development and changes in chemical‐induced mutant frequencies over time in differing immune compartments of a mouse model. A novel reverse transcriptase‐polymerase chain reaction based method was developed to determine the specific T‐cell receptor beta (Tcrb) gene mRNA expressed in mouse T‐cell isolates, enabling sequence analysis of the PCR product that then identifies the specific hypervariable CDR3 junctional region of the expressed Tcrb gene for individual isolates. Characterization of spontaneous Hprt mutant isolates from the thymus, spleen, and lymph nodes of control mice for their Tcrb gene expression found evidence of in vivo clonal amplifications of Hprt mutants and their trafficking between tissues in the same animal. Concurrent analyses of Hprt mutations and Tcrb gene rearrangements in different lymphoid tissues of control versus N‐ethyl‐N‐nitrosourea‐exposed mice permitted elucidation of the localization and timing of mutational events in T‐cells, establishing that mutagenesis occurs primarily in the pre‐rearrangement replicative period in pre‐thymic/thymic populations. These findings demonstrate that chemical‐induced mutagenic burden is determined by the combination of mutagenesis and T‐cell clonal expansion, processes with roles in immune function and in the pathogenesis of autoimmune disease and cancer.
Late Quaternary tectono‐geomorphological investigations of Zanskar Basin, NW Himalaya, India, using geospatial techniques
Authors: Irfan Mohammad , Bali Bikram Singh , Afzal Ahsan
Published: November 2023

Geospatial techniques play a crucial role in geomorphic studies, particularly in the challenging terrains like mountainous regions, inaccessible areas and densely vegetated landscapes, where geomorphic features cannot be recorded easily. Tectono‐geomorphologic observations provide important clues regarding the landscape evolution, morpho‐dynamics and ongoing tectonism of the region. The present study has been carried out in the Zanskar Basin (ZB), located to the south of the Indus Tsangpo Suture Zone (ITSZ), in the hinterland of the NW Himalaya. This study has been carried out to assess and evaluate active tectonics by employing tectono‐geomorphic analysis, dynamics in drainage networks, geomorphological field observations and the Geographic Information System (GIS) environment. High‐resolution satellite images, topographic maps and the Shuttle Radar Topography Mission (SRTM) Digital Elevation Model (DEM) were used to generate primary data sets, which were corroborated with field investigations for valid inferences. The geometry of the ZB suggests that continuous tectonic activity exerts first‐order control on the overall shape, size and structure of the ZB. This first‐order response is clearly reflected in the landforms modified by tectonic processes, namely, linear mountain fronts, elongated shape and tilting of the basin, braided and meandering river courses and lower stream length gradient index values in hard rock terrain. The ZB exhibits several eye‐catching geomorphic features, such as well‐defined triangular facets with wide base lengths and wine‐glass valleys with small outlets along the footwall block of the Zanskar Shear Zone/South Tibetan Detachment System (ZSZ/STDS), as well as the presence of wind gaps, water gaps, bedrock incision, incised and entrenched valleys, narrow gorges and a high incision rate inferring active tectonics and recent uplift in the region. In addition, the existence of uplifted river terraces, as well as the stepped morphology of fans and strath terraces, suggests that the region is experiencing recent activity and ongoing tectonic uplift. These modified geomorphic characteristics suggest that the hinterland, which is part of the NW Himalaya, is tectonically quite active and has experienced a differential rate of tectonics during its evolution. The quantified geomorphic indices and their relations with the tectonics, climate and erosion activity infer that the basin geometry is mostly controlled by the ZSZ/STDS that dips 20°–70° NE, the south‐dipping Zanskar Counter Thrust (ZCT) and other local tectonic elements like the Choksti Thrust (CT), Stondgey Thrust, Zangla Thrust and tectonic structures. The synergised results of quantified geomorphic indices and tectono‐geomorphic evidence in the ZB strongly indicate that both the past and ongoing tectonism have significantly shaped and modified geomorphology of the ZB.
Punctuated equilibrium at 50: Anything there for evolutionary anthropology? Yes; definitely
Authors: O'Brien Michael J. , Valverde Sergi , Duran‐Nebreda Salva , Vidiella Blai , Bentley R. Alexander
Published: November 2023

The theory of punctuated equilibrium (PE) was developed a little over 50 years ago to explain long‐term, large‐scale appearance and disappearance of species in the fossil record. A theory designed specifically for that purpose cannot be expected, out of the box, to be directly applicable to biocultural evolution, but in revised form, PE offers a promising approach to incorporating not only a wealth of recent empirical research on genetic, linguistic, and technological evolution but also large databases that document human biological and cultural diversity across time and space. Here we isolate the fundamental components of PE and propose which pieces, when reassembled or renamed, can be highly useful in evolutionary anthropology, especially as humanity faces abrupt ecological challenges on an increasingly larger scale.