Infections due to carbapenemase-producing Gram-negative pathogens are associated with limited treatment options and consequently lead to increased mortality and morbidity. In response, combinations of existing β-lactams and novel β-lactamase inhibitors, such as ceftazidime-avibactam (CAZ-AVI), have been developed as alternative treatment options. To understand the development of resistance and ...

<i>Background</i>: The coordination of group behaviors in bacteria is achieved by a cell-cell signaling process called quorum sensing (QS). QS is an intercellular communication system, which synchronously controls expression of a vast range of genes in response to changes in cell density and is mediated by autoinducers that act as extracellular signals. <i>Aliivibrio salmonicida</i>, the causative ...

A series of stable Pt(IV) corrole complexes with the general formula Pt^IV[TpXPC](<i>m/p</i>-C₆H₄CN)(py), where TpXPC^3– is the trianion of a tris(<i>p</i>-X-phenyl)corrole and X = CF₃, H, and CH₃, has been synthesized, affording key physicochemical data on a rare and elusive class of metallocorroles. Single-crystal X-ray structures of ...

DNA ligases join breaks in the phosphodiester backbone of DNA by catalysing the formation of bonds between opposing 5′P and 3′OH ends in an adenylation-dependent manner. Catalysis is accompanied by reorientation of two core domains to provide access to the active site for cofactor utilization and enable substrate binding and product release. The general paradigm is that DNA ligases engage their DNA ...

We propose a modified coupled cluster Monte Carlo algorithm that stochastically samples connected terms within the truncated Baker–Campbell–Hausdorff expansion of the similarity-transformed Hamiltonian by construction of coupled cluster diagrams on the fly. Our new approach—diagCCMC—allows propagation to be performed using only the connected components of the similarity-transformed Hamiltonian, ...

The Tohoku tsunami of March 2011 ejected a vast amount of debris into the Pacific Ocean. Wood boring shipworms (Bivalvia: Teredinidae) were either already present in, or settled on, the wooden fraction of this debris, offering a unique opportunity to study shipworm diversity in rafted wood of a known origin and time of ocean entry. Lumber and other wood began appearing on Central Pacific (Hawaiian ...

Abstract Afordable housing with fair and transparent land-allocation measures is a challenge for many countries. The Sultanate of Oman solves this issue by means of land-allocation lotteries in which male and female citizens can participate in order to win a parcel of a new housing area. Besides supporting those in fnancial need the lottery aims to mix the separate tribes of Oman and thus contribute ...

Density functional theory calculations of magnetically induced current densities have revealed high diatropic ring currents in unsubstituted isocorrole consistent with homoaromatic character. An examination of the Kohn-Sham molecular orbitals showed clear evidence of homoconjugative interactions in four occupied π-type molecular orbitals as well as in the LUMO. Remarkably, substituents at the saturated ...

The use of water as a donor for hydrogen suitable for the reduction of several important classes of organic compounds is described. It is found that the reductive water splitting can be promoted by several metalloids among which silicon shows the best efficiency. The developed methodologies were applied for the reduction of nitro compounds, N‐oxides, sulfoxides, alkenes, alkynes, hydrodehalogenation ...

A method for the generation of unprecedented vinyl carbenoids from sulfoxonium ylides has been developed and applied in the synthesis of a diverse array of heterocycles such as indolizines, pyrroles, 3‐pyrrolin‐2‐ones, and furans. The reactions proceed by FeBr₂ catalysis under mild reaction conditions with a broad substrate scope. A reaction pathway involving iron carbenoids is proposed ...