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Article ; Online: Measurement of Water Mole Fraction from Acoustically Levitated Pure Water and Protein Water Solution Droplets via Tunable Diode Laser Absorption Spectroscopy (TDLAS) at 1.37 µm

Julian F. A. Perlitz / Heiko Broß / Stefan Will

Applied Sciences, Vol 11, Iss 5036, p

2021 Volume 5036

Abstract: In order to understand the evaporation and particle formation processes of sprays in technical applications such as fuel injectors or drying processes in the food and pharmaceutical industries in detail, single droplet drying experiments, for example, ... ...

Abstract	In order to understand the evaporation and particle formation processes of sprays in technical applications such as fuel injectors or drying processes in the food and pharmaceutical industries in detail, single droplet drying experiments, for example, acoustic levitation, are widely used as model experiments. We combined acoustic levitation and tunable diode laser absorption spectroscopy (TDLAS) to measure the absolute H 2 O concentration in the exhaust gas of a levitation chamber to investigate drying and particle formation processes from single droplets of pure water and protein–water solutions. To that end, we designed and developed a non-invasive, calibration-free TDLAS-based hygrometer to analyze the 1.4 µm overtone band. To increase the detection range of the developed hygrometer and to track the complete drying process of protein solution droplets even after the critical point of drying, the absorption length was extended to a path length of 18 m using an astigmatic multipass cell of the Herriott type. The setup was validated by drying pure water droplets, resulting in a determination of the water mole fraction in a range from 73 ppm to 1314 ppm, with a single scan resolution of 1.7 ppm. For protein solution droplets, the entire drying process, even beyond the critical point of drying, can be tracked and the different phases of the drying process can be characterized at different drying temperatures.
Keywords	tunable diode laser absorption spectroscopy ; astigmatic multipass cell ; acoustic levitation ; single droplet drying ; protein drying ; Technology ; T ; Engineering (General). Civil engineering (General) ; TA1-2040 ; Biology (General) ; QH301-705.5 ; Physics ; QC1-999 ; Chemistry ; QD1-999
Subject code	660
Language	English
Publishing date	2021-05-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Conference proceedings: Sektorenübergreifende Regionale Versorgung bei Anorexia nervosa (SeRIVA) – Etablierung einer Koordinationsstelle für Betroffene und Angehörige im Kreisgesundheitsamt Reutlingen

Hilberath, C. / Renner, T. / Kosel, F. / Hagmann, D. / Resmark, G. / Zipfel, S. / Weingärtner, A. / Schuh, K. / Bross, P. / Kling, B. / Wolfers, K.

Das Gesundheitswesen

2024 Volume 86, Issue S 02

Event/congress	Der Öffentliche Gesundheitsdienst - Rückenwind für Gesundheit! 73. Wissenschaftlicher Kongress \| BVÖGD e.V., BZÖG e.V., DGÖG e.V., Hamburg, 2024-04-24
Language	German
Publishing date	2024-04-01
Publisher	Georg Thieme Verlag
Publishing place	Stuttgart ; New York
Document type	Article ; Conference proceedings
ZDB-ID	1101426-x
ISSN	1439-4421 ; 0941-3790 ; 0949-7013
ISSN (online)	1439-4421
ISSN	0941-3790 ; 0949-7013
DOI	10.1055/s-0044-1781925
Database	Thieme publisher's database

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Article ; Online: Elaborated thermochemical treatment of HF, CO, N

Thorpe, James H / Kilburn, Josie L / Feller, David / Changala, P Bryan / Bross, David H / Ruscic, Branko / Stanton, John F

The Journal of chemical physics

2021 Volume 155, Issue 18, Page(s) 184109

Abstract: Empirical, highly accurate non-relativistic electronic total atomization energies (eTAEs) are established by combining experimental or computationally converged treatments of the nuclear motion and relativistic contributions with the total atomization ... ...

Abstract	Empirical, highly accurate non-relativistic electronic total atomization energies (eTAEs) are established by combining experimental or computationally converged treatments of the nuclear motion and relativistic contributions with the total atomization energies of HF, CO, N
Language	English
Publishing date	2021-11-10
Publishing country	United States
Document type	Journal Article
ZDB-ID	3113-6
ISSN	1089-7690 ; 0021-9606
ISSN (online)	1089-7690
ISSN	0021-9606
DOI	10.1063/5.0069322
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Damage in InGaN/GaN bilayers upon Xe and Pb swift heavy ion irradiation.

Jóźwik, Przemysław / Cardoso, José P S / Carvalho, Diogo F / Correia, Maria R P / Sequeira, Miguel C / Magalhães, Sérgio / Faye, Djibril Nd / Grygiel, Clara / Monnet, Isabelle / Bross, Adam S / Wetzel, Christian / Alves, Eduardo / Lorenz, Katharina

Physical chemistry chemical physics : PCCP

2022 Volume 24, Issue 42, Page(s) 25773–25787

Abstract: 350 nm and 550 nm thick InGaN/GaN bilayers were irradiated with different energies (from ∼82 to ∼38 MeV) of xenon ( ...

Abstract	350 nm and 550 nm thick InGaN/GaN bilayers were irradiated with different energies (from ∼82 to ∼38 MeV) of xenon (
Language	English
Publishing date	2022-11-02
Publishing country	England
Document type	Journal Article
ZDB-ID	1476244-4
ISSN	1463-9084 ; 1463-9076
ISSN (online)	1463-9084
ISSN	1463-9076
DOI	10.1039/d2cp02526d
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Effective Degradation of Novichok Nerve Agents by the Zirconium Metal-Organic Framework MOF-808.

de Koning, Martijn C / Vieira Soares, Carla / van Grol, Marco / Bross, Rowdy P T / Maurin, Guillaume

ACS applied materials & interfaces

2022 Volume 14, Issue 7, Page(s) 9222–9230

Abstract: ... hydrolysis steps. Initial extremely rapid P-F bond breaking is followed by MOF-catalyzed removal ...

Abstract	Novichoks are a novel class of nerve agents (also referred to as the A-series) that were employed in several poisonings over the last few years. This calls for the development of novel countermeasures that can be applied in protective concepts (e.g., protective clothing) or in decontamination methods. The Zr metal-organic framework MOF-808 has recently emerged as a promising catalyst in the hydrolysis of the V- and G-series of nerve agents as well as their simulants. In this paper, we report a detailed study of the degradation of three Novichok agents by MOF-808 in buffers with varying pH. MOF-808 is revealed to be a highly efficient and regenerable catalyst for Novichok agent hydrolysis under basic conditions. In contrast to the V- and G-series of agents, degradation of Novichoks is demonstrated to proceed in two consecutive hydrolysis steps. Initial extremely rapid P-F bond breaking is followed by MOF-catalyzed removal of the amidine group from the intermediate product. The intermediate thus acted as a competitive substrate that was rate-determining for the whole two-step degradation route. Under acidic conditions, the amidine group in Novichok
Language	English
Publishing date	2022-02-09
Publishing country	United States
Document type	Journal Article
ISSN	1944-8252
ISSN (online)	1944-8252
DOI	10.1021/acsami.1c24295
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Enzymatic Decontamination of G-Type, V-Type and Novichok Nerve Agents.

Jacquet, Pauline / Rémy, Benjamin / Bross, Rowdy P T / van Grol, Marco / Gaucher, Floriane / Chabrière, Eric / de Koning, Martijn C / Daudé, David

International journal of molecular sciences

2021 Volume 22, Issue 15

Abstract: Organophosphorus nerve agents (OPNAs) are highly toxic compounds inhibiting cholinergic enzymes in the central and autonomic nervous systems and neuromuscular junctions, causing severe intoxications in humans. Medical countermeasures and efficient ... ...

Abstract	Organophosphorus nerve agents (OPNAs) are highly toxic compounds inhibiting cholinergic enzymes in the central and autonomic nervous systems and neuromuscular junctions, causing severe intoxications in humans. Medical countermeasures and efficient decontamination solutions are needed to counteract the toxicity of a wide spectrum of harmful OPNAs including G, V and Novichok agents. Here, we describe the use of engineered OPNA-degrading enzymes for the degradation of various toxic agents including insecticides, a series of OPNA surrogates, as well as real chemical warfare agents (cyclosarin, sarin, soman, tabun, VX, A230, A232, A234). We demonstrate that only two enzymes can degrade most of these molecules at high concentrations (25 mM) in less than 5 min. Using surface assays adapted from NATO AEP-65 guidelines, we further show that enzyme-based solutions can decontaminate 97.6% and 99.4% of 10 g∙m
MeSH term(s)	Decontamination/methods ; Enzymes/chemistry ; Insecticides/chemistry ; Nerve Agents/chemistry ; Organophosphorus Compounds/chemistry
Chemical Substances	Enzymes ; Insecticides ; Nerve Agents ; Organophosphorus Compounds
Language	English
Publishing date	2021-07-29
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2019364-6
ISSN	1422-0067 ; 1422-0067 ; 1661-6596
ISSN (online)	1422-0067
ISSN	1422-0067 ; 1661-6596
DOI	10.3390/ijms22158152
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: A recurrent de novo

Cömert, Cagla / Brick, Lauren / Ang, Debbie / Palmfeldt, Johan / Meaney, Brandon F / Kozenko, Mariya / Georgopoulos, Costa / Fernandez-Guerra, Paula / Bross, Peter

Cold Spring Harbor molecular case studies

2020 Volume 6, Issue 3

Abstract: Standardization of the use of next-generation sequencing for the diagnosis of rare neurological disorders has made it possible to detect potential disease-causing genetic variations, including de novo variants. However, the lack of a clear pathogenic ... ...

Abstract	Standardization of the use of next-generation sequencing for the diagnosis of rare neurological disorders has made it possible to detect potential disease-causing genetic variations, including de novo variants. However, the lack of a clear pathogenic relevance of gene variants poses a critical limitation for translating this genetic information into clinical practice, increasing the necessity to perform functional assays. Genetic screening is currently recommended in the guidelines for diagnosis of hypomyelinating leukodystrophies (HLDs). HLDs represent a group of rare heterogeneous disorders that interfere with the myelination of the neurons in the central nervous system. One of the HLD-related genes is
MeSH term(s)	Adult ; Alleles ; Amino Acid Sequence ; Amino Acid Substitution ; Chaperonin 10/genetics ; Chaperonin 60/chemistry ; Chaperonin 60/genetics ; Child ; Female ; Genetic Association Studies/methods ; Genetic Predisposition to Disease ; Genetic Variation ; Genotype ; Hereditary Central Nervous System Demyelinating Diseases/diagnosis ; Hereditary Central Nervous System Demyelinating Diseases/genetics ; Humans ; Infant ; Magnetic Resonance Imaging ; Male ; Mitochondrial Diseases/diagnosis ; Mitochondrial Diseases/genetics ; Mitochondrial Proteins/chemistry ; Mitochondrial Proteins/genetics ; Models, Molecular ; Mutation ; Pregnancy Proteins/genetics ; Protein Conformation ; Recurrence ; Structure-Activity Relationship ; Suppressor Factors, Immunologic/genetics
Chemical Substances	Chaperonin 10 ; Chaperonin 60 ; HSPD1 protein, human ; Mitochondrial Proteins ; Pregnancy Proteins ; Suppressor Factors, Immunologic ; early pregnancy factor
Language	English
Publishing date	2020-06-12
Publishing country	United States
Document type	Case Reports ; Journal Article ; Research Support, Non-U.S. Gov't ; Review
ZDB-ID	2835759-0
ISSN	2373-2873 ; 2373-2873
ISSN (online)	2373-2873
ISSN	2373-2873
DOI	10.1101/mcs.a004879
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: An inventory of interactors of the human HSP60/HSP10 chaperonin in the mitochondrial matrix space.

Bie, Anne Sigaard / Cömert, Cagla / Körner, Roman / Corydon, Thomas J / Palmfeldt, Johan / Hipp, Mark S / Hartl, F Ulrich / Bross, Peter

Cell stress & chaperones

2020 Volume 25, Issue 3, Page(s) 407–416

Abstract: The HSP60/HSP10 chaperonin assists folding of proteins in the mitochondrial matrix space by enclosing them in its central cavity. The chaperonin forms part of the mitochondrial protein quality control system. It is essential for cellular survival and ... ...

Abstract	The HSP60/HSP10 chaperonin assists folding of proteins in the mitochondrial matrix space by enclosing them in its central cavity. The chaperonin forms part of the mitochondrial protein quality control system. It is essential for cellular survival and mutations in its subunits are associated with rare neurological disorders. Here we present the first survey of interactors of the human mitochondrial HSP60/HSP10 chaperonin. Using a protocol involving metabolic labeling of HEK293 cells, cross-linking, and immunoprecipitation of HSP60, we identified 323 interacting proteins. As expected, the vast majority of these proteins are localized to the mitochondrial matrix space. We find that approximately half of the proteins annotated as mitochondrial matrix proteins interact with the HSP60/HSP10 chaperonin. They cover a broad spectrum of functions and metabolic pathways including the mitochondrial protein synthesis apparatus, the respiratory chain, and mitochondrial protein quality control. Many of the genes encoding HSP60 interactors are annotated as disease genes. There is a correlation between relative cellular abundance and relative abundance in the HSP60 immunoprecipitates. Nineteen abundant matrix proteins occupy more than 60% of the HSP60/HSP10 chaperonin capacity. The reported inventory of interactors can form the basis for interrogating which proteins are especially dependent on the chaperonin.
MeSH term(s)	Chaperonin 10/metabolism ; Chaperonin 60/metabolism ; HEK293 Cells ; Humans ; Mitochondria/metabolism ; Mitochondrial Proteins/metabolism
Chemical Substances	Chaperonin 10 ; Chaperonin 60 ; HSPD1 protein, human ; Mitochondrial Proteins
Language	English
Publishing date	2020-02-14
Publishing country	Netherlands
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1362749-1
ISSN	1466-1268 ; 1355-8145
ISSN (online)	1466-1268
ISSN	1355-8145
DOI	10.1007/s12192-020-01080-6
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Effective Degradation of Novichok Nerve Agents by the Zirconium Metal–Organic Framework MOF-808

de Koning, Martijn C. / Vieira Soares, Carla / van Grol, Marco / Bross, Rowdy P. T. / Maurin, Guillaume

ACS applied materials & interfaces. 2022 Feb. 09, v. 14, no. 7

2022

Abstract: ... hydrolysis steps. Initial extremely rapid P–F bond breaking is followed by MOF-catalyzed removal ... group in Novichok A-230 is more rapidly hydrolyzed than the P–F bond, giving rise to another moderately ...

Abstract	Novichoks are a novel class of nerve agents (also referred to as the A-series) that were employed in several poisonings over the last few years. This calls for the development of novel countermeasures that can be applied in protective concepts (e.g., protective clothing) or in decontamination methods. The Zr metal–organic framework MOF-808 has recently emerged as a promising catalyst in the hydrolysis of the V- and G-series of nerve agents as well as their simulants. In this paper, we report a detailed study of the degradation of three Novichok agents by MOF-808 in buffers with varying pH. MOF-808 is revealed to be a highly efficient and regenerable catalyst for Novichok agent hydrolysis under basic conditions. In contrast to the V- and G-series of agents, degradation of Novichoks is demonstrated to proceed in two consecutive hydrolysis steps. Initial extremely rapid P–F bond breaking is followed by MOF-catalyzed removal of the amidine group from the intermediate product. The intermediate thus acted as a competitive substrate that was rate-determining for the whole two-step degradation route. Under acidic conditions, the amidine group in Novichok A-230 is more rapidly hydrolyzed than the P–F bond, giving rise to another moderately toxic intermediate. This intermediate could in turn be efficiently hydrolyzed by MOF-808 under basic conditions. These experimental observations were corroborated by density functional theory calculations to shed light on molecular mechanisms.
Keywords	catalysts ; coordination polymers ; decontamination ; density functional theory ; hydrolysis ; intermediate product ; nerve tissue ; pH ; protective clothing ; toxicity ; zirconium
Language	English
Dates of publication	2022-0209
Size	p. 9222-9230.
Publishing place	American Chemical Society
Document type	Article
ISSN	1944-8252
DOI	10.1021/acsami.1c24295
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide.

Changala, P Bryan / Nguyen, T Lam / Baraban, Joshua H / Ellison, G Barney / Stanton, John F / Bross, David H / Ruscic, Branko

The journal of physical chemistry. A

2017 Volume 121, Issue 46, Page(s) 8799–8806

Abstract: The adiabatic ionization energy of hydrogen peroxide (HOOH) is investigated, both by means of theoretical calculations and theoretically assisted reanalysis of previous experimental data. Values obtained by three different approaches: 10.638 ± 0.012 eV ( ... ...

Abstract	The adiabatic ionization energy of hydrogen peroxide (HOOH) is investigated, both by means of theoretical calculations and theoretically assisted reanalysis of previous experimental data. Values obtained by three different approaches: 10.638 ± 0.012 eV (purely theoretical determination), 10.649 ± 0.005 eV (reanalysis of photoelectron spectrum), and 10.645 ± 0.010 eV (reanalysis of photoionization spectrum) are in excellent mutual agreement. Further refinement of the latter two values to account for asymmetry of the rotational profile of the photoionization origin band leads to a reduction of 0.007 ± 0.006 eV, which tends to bring them into even closer alignment with the purely theoretical value. Detailed analysis of this fundamental quantity by the Active Thermochemical Tables approach, using the present results and extant literature, gives a final estimate of 10.641 ± 0.006 eV.
Language	English
Publishing date	2017-11-22
Publishing country	United States
Document type	Journal Article
ISSN	1520-5215
ISSN (online)	1520-5215
DOI	10.1021/acs.jpca.7b06221
Database	MEDical Literature Analysis and Retrieval System OnLINE

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