This study proposes an operation optimization framework for impurity-free recycling of spent lithium-ion batteries. Using a hybrid population balance equation integrated with a data-driven condition classifier, the study firstly identifies the optimal batch and semi-batch operation conditions that significantly reduce the operation time with 100% purity of product; detailed guidelines are given for industrial applications.

The title compound, 3-[(benzo-1,3-dioxol-5-yl)amino]-4-meth­oxy­cyclo­but-3-ene-1,2-dione, C12H9NO5 (3), is a precursor to an anti­mycobacterial squaramide. Block-shaped crystals of a monoclinic form (3-I, space group P21/c, Z = 8, Z' = 2) and needle-shaped crystals of a triclinic form (3-II, space group P-1, Z = 4, Z' = 2) were found to crystallize concomitantly. In both crystal forms, R22(10) dimers assemble through N—H⋯O=C hydrogen bonds. These dimers are formed from crystallographically unique mol­ecules in 3-I, but exhibit crystallographic Ci symmetry in 3-II. Twinning by pseudomerohedry was encountered in the crystals of 3-II. The conformations of 3 in the solid forms 3-I and 3-II are different from one another but are similar for the unique mol­ecules in each polymorph. Density functional theory (DFT) calculations on the free mol­ecule of 3 indicate that a nearly planar conformation is preferred.

Policymakers’ efforts to reduce threats from improvised explosive devices (IEDs) should include greater oversight of precursor chemicals sold at the retail level – especially over the Internet – that terrorists, violent extremists, or criminals use to make homemade explosives, says a new report from the National Academies of Sciences, Engineering, and Medicine.

Zika virus (ZIKV) is a neurotropic flavivirus that causes several diseases including birth defects such as microcephaly. Intrinsic immunity is known to be a frontline defense against viruses through host anti-viral restriction factors. Limited knowledge is available on intrinsic immunity against ZIKV in brains. Amyloid precursor protein (APP) is predominantly expressed in brains and implicated in the pathogenesis of Alzheimer's diseases. We have found that ZIKV interacts with APP, and viral infection increases APP expression via enhancing protein stability. Moreover, we identified the viral peptide, HGSQHSGMIVNDTGHETDENRAKVEITPNSPRAEATLGGFGSLGL, which is capable of en-hancing APP expression. We observed that aging brain tissues with APP had protective effects on ZIKV infection by reducing the availability of the viruses. Also, knockdown of APP expression or blocking ZIKV-APP interactions enhanced ZIKV replication in human neural progenitor/stem cells. Finally, intracranial infection of ZIKV in APP-null neonatal mice resulted in higher mortality and viral yields. Taken together, these findings suggest that APP is a restriction factor that protects against ZIKV by serving as a decoy receptor, and plays a protective role in ZIKV-mediated brain injuries.

Myelination plays an important role in cognitive development and in demyelinating diseases like multiple sclerosis (MS), where failure of remyelination promotes permanent neuro-axonal damage. Modification of cell surface receptors with branched N-glycans coordinates cell growth and differentiation by controlling glycoprotein clustering, signaling, and endocytosis. GlcNAc is a rate-limiting metabolite for N-glycan branching. Here we report that GlcNAc and N-glycan branching trigger oligodendrogenesis from precursor cells by inhibiting platelet-derived growth factor receptor-α cell endocytosis. Supplying oral GlcNAc to lactating mice drives primary myelination in newborn pups via secretion in breast milk, whereas genetically blocking N-glycan branching markedly inhibits primary myelination. In adult mice with toxin (cuprizone)-induced demyelination, oral GlcNAc prevents neuro-axonal damage by driving myelin repair. In MS patients, endogenous serum GlcNAc levels inversely correlated with imaging measures of demyelination and microstructural damage. Our data identify N-glycan branching and GlcNAc as critical regulators of primary myelination and myelin repair and suggest that oral GlcNAc may be neuroprotective in demyelinating diseases like MS.

Ion mobility separates molecules in the gas-phase based on their physico-chemical properties, providing information about their size as collisional cross-sections. The timsTOF Pro combines trapped ion mobility with a quadrupole, collision cell and a TOF mass analyzer, to probe ions at high speeds with on-the-fly fragmentation. Here, we show that on this platform ion mobility is beneficial for cross-linking MS (XL-MS). Cross-linking reagents covalently link amino acids in proximity, resulting in peptide pairs after proteolytic digestion. These cross-linked peptides are typically present at low abundance in the background of normal peptides, which can partially be resolved by using enrichable cross-linking reagents. Even with a very efficient enrichable cross-linking reagent, like PhoX, the analysis of cross-linked peptides is still hampered by the co-enrichment of peptides connected to a partially hydrolyzed reagent – termed mono-linked peptides. For experiments aiming to uncover protein-protein interactions these are unwanted byproducts. Here, we demonstrate that gas-phase separation by ion mobility enables the separation of mono-linked peptides from cross-linked peptide pairs. A clear partition between these two classes is observed at a CCS of 500 Ų and a monoisotopic mass of 2 kDa, which can be used for targeted precursor selection. A total of 50-70% of the mono-linked peptides are prevented from sequencing, allowing the analysis to focus on sequencing the relevant cross-linked peptide pairs. In applications to both simple proteins and protein mixtures and a complete highly complex lysate this approach provides a substantial increase in detected cross-linked peptides.

Follow-up studies could lead to inhibitors that block uptake, thus stopping body odor production

The structure of zymonic acid (systematic name: 4-hy­droxy-2-methyl-5-oxo-2,5-di­hydro­furan-2-carb­oxy­lic acid), C6H6O5, which had previously eluded crystallographic determination, is presented here for the first time. It forms by intra­molecular condensation of parapyruvic acid, which is the product of aldol condensation of pyruvic acid. A redetermination of the crystal structure of pyruvic acid (systematic name: 2-oxo­propanoic acid), C3H4O3, at low temperature (90 K) and with increased precision, is also presented [for the previous structure, see: Harata et al. (1977). Acta Cryst. B33, 210–212]. In zymonic acid, the hy­droxy­lactone ring is close to planar (r.m.s. deviation = 0.0108 Å) and the dihedral angle between the ring and the plane formed by the bonds of the methyl and carb­oxy­lic acid carbon atoms to the ring is 88.68 (7)°. The torsion angle of the carb­oxy­lic acid group relative to the ring is 12.04 (16)°. The pyruvic acid mol­ecule is almost planar, having a dihedral angle between the carb­oxy­lic acid and methyl-ketone groups of 3.95 (6)°. Inter­molecular inter­actions in both crystal structures are dominated by hydrogen bonding. The common R22(8) hydrogen-bonding motif links carb­oxy­lic acid groups on adjacent mol­ecules in both structures. In zymonic acid, this results in dimers about a crystallographic twofold of space group C2/c, which forces the carb­oxy­lic acid group to be disordered exactly 50:50, which scrambles the carbonyl and hydroxyl groups and gives an apparent equalization of the C—O bond lengths [1.2568 (16) and 1.2602 (16) Å]. The other hydrogen bonds in zymonic acid (O—H⋯O and weak C—H⋯O), link mol­ecules across a 21-screw axis, and generate an R22(9) motif. These hydrogen-bonding inter­actions propagate to form extended pleated sheets in the ab plane. Stacking of these zigzag sheets along c involves only van der Waals contacts. In pyruvic acid, inversion-related mol­ecules are linked into R22(8) dimers, with van der Waals inter­actions between dimers as the only other inter­molecular contacts.

Chalcones of type 4-XC6H4C(O)CH=CHC6H4(OCH2CCH)-4, where X = Cl, Br or MeO, have been converted to the corresponding 4,5-di­hydro­pyrazole-1-carbo­thio­amides using a cyclo­condensation reaction with thio­semicarbazide. The chalcones 1-(4-chloro­phen­yl)-3-[4-(prop-2-yn­yloxy)phen­yl]prop-2-en-1-one, C18H13ClO2, (I), and 1-(4-bromo­phen­yl)-3-[4-(prop-2-yn­yloxy)phen­yl]prop-2-en-1-one, C18H13BrO2, (II), are isomorphous, and their mol­ecules are linked into sheets by two independent C—H⋯π(arene) inter­actions, both involving the same aryl ring with one C—H donor approaching each face. In each of the products (RS)-3-(4-chloro­phen­yl)-5-[4-(prop-2-yn­yloxy)phen­yl]-4,5-di­hydro­pyrazole-1-carbo­thio­amide, C19H16ClN3OS, (IV), (RS)-3-(4-bromo­phen­yl)-5-[4-(prop-2-yn­yloxy)phen­yl]-4,5-di­hydro­pyrazole-1-carbo­thio­amide, C19H16BrN3OS, (V), and (RS)-3-(4-meth­oxy­phen­yl)-5-[4-(prop-2-yn­yloxy)phen­yl]-4,5-di­hydro­pyrazole-1-carbo­thio­amide, C20H19N3O2S, (VI), the reduced pyrazole ring adopts an envelope conformation with the C atom bearing the 4-prop-2-yn­yloxy)phenyl substituent, which occupies the axial site, displaced from the plane of the four ring atoms. Compounds (IV) and (V) are isomorphous and their mol­ecules are linked into chains of edge-fused rings by a combination of N—H⋯S and C—H⋯S hydrogen bonds. The mol­ecules of (VI) are linked into sheets by a combination of N—H⋯S, N—H⋯N and C—H⋯π(arene) hydrogen bonds. Comparisons are made with the structures of some related compounds.

The microstructures of six stacking-faulted industrially produced cobalt- and aluminium-bearing nickel layered double hydroxide (LDH) samples that are used as precursors for Li(Ni1−x−yCoxAly)O2 battery materials were investigated. Shifts from the brucite-type (AγB)□(AγB)□ stacking pattern to the CdCl2-type (AγB)□(CβA)□(BαC)□ and the CrOOH-type (BγA)□(AβC)□(CαB)□ stacking order, as well as random intercalation of water molecules and carbonate ions, were found to be the main features of the microstructures. A recursive routine for generating and averaging supercells of stacking-faulted layered substances implemented in the TOPAS software was used to calculate diffraction patterns of the LDH phases as a function of the degree of faulting and to refine them against the measured diffraction data. The microstructures of the precursor materials were described by a model containing three parameters: transition probabilities for generating CdCl2-type and CrOOH-type faults and a transition probability for the random intercalation of water/carbonate layers. Automated series of simulations and refinements were performed, in which the transition probabilities were modified incrementally and thus the microstructures optimized by a grid search. All samples were found to exhibit the same fraction of CdCl2-type and CrOOH-type stacking faults, which indicates that they have identical Ni, Co and Al contents. Different degrees of interstratification faulting were determined, which could be correlated to different heights of intercalation-water-related mass-loss steps in the thermal analyses.

Policymakers’ efforts to reduce threats from improvised explosive devices (IEDs) should include greater oversight of precursor chemicals sold at the retail level – especially over the Internet – that terrorists, violent extremists, or criminals use to make homemade explosives, says a new report from the National Academies of Sciences, Engineering, and Medicine.

Disclosed is a resin precursor composition including a bifunctional (meth)acrylate containing a fluorine atom, a bifunctional (meth)acrylate having a fluorene structure, and a photopolymerization initiator, the resin precursor composition in which the formation of precipitates during its storage is suppressed; and a resin obtained from the same. Specifically disclosed is a resin precursor composition that contains a bifunctional fluorine-containing (meth)acrylate (component A); a (meth)acrylate having a fluorene structure (component B); and a photopolymerization initiator (component C), wherein the component B includes a bifunctional (meth)acrylate having a fluorene structure (b-1) and a monofunctional (meth)acrylate having a fluorene structure (b-2) at a molar ratio (b-1):(b-2) of 90:10 to 70:30.

The present invention relates to a class of fragrance precursor compounds comprising one or more of the compounds derived from the reaction of X—OH and an aldehyde or ketone, the fragrance precursor compounds being of the formula X—O—C(R)(R*)(OR**) wherein R is a C6-24 alkyl group, a C6-24 aralkyl group or a C6-24 alkaryl group; R* is H or a C6-24 alkyl group, a C6-24 aralkyl group or a C6-24 alkaryl group; R** is H or X; X—O representing a moiety derived from X—OH, and wherein X—OH is a compound selected from the group consisting of surfactants, fabric softeners, softener precursor ester amines, softener precursor amido amines, hair conditioners, skin conditions, saccharides and polymers. In a second aspect it relates to a method of preparing such precusors. Further the invention relates to compositions, comprising the precursor of the invention.

The present invention relates to a class of fragrance precursor compounds comprising one or more of the compounds derived from the reaction of X—OH and an aldehyde or ketone, the fragrance precursor compounds being of the formula X—O—C(R)(R*)(OR**) wherein R is a C6-24 alkyl group, a C6-24 aralkyl group or a C6-24 alkaryl group; R* is H or a C6-24 alkyl group, a C6-24 aralkyl group or a C6-24 alkaryl group; R** is H or X; X—O representing a moiety derived from X—OH, and wherein X—OH is a compound selected from the group consisting of surfactants, fabric softeners, softener precursor ester amines, softener precursor amido amines, hair conditioners, skin conditions, saccharides and polymers. In a second aspect it relates to a method of preparing such precusors. Further the invention relates to compositions, comprising the precursor of the invention.

The present invention relates to a class of fragrance precursor compounds comprising one or more of the compounds derived from the reaction of X—OH and an aldehyde or ketone, the fragrance precursor compounds being of the formula X—O—C(R)(R*)(OR**) wherein R is a C6-24 alkyl group, a C6-24 aralkyl group or a C6-24 alkaryl group; R* is H or a C6-24 alkyl group, a C6-24 aralkyl group or a C6-24 alkaryl group; R** is H or X; X—O representing a moiety derived from X—OH, and wherein X—OH is a compound selected from the group consisting of surfactants, fabric softeners, softener precursor ester amines, softener precursor amido amines, hair conditioners, skin conditions, saccharides and polymers. In a second aspect it relates to a method of preparing such precusors. Further the invention relates to compositions, comprising the precursor of the invention.

The present invention relates to a class of fragrance precursor compounds comprising one or more of the compounds derived from the reaction of X—OH and an aldehyde or ketone, the fragrance precursor compounds being of the formula X—O—C(R)(R*)(OR**) wherein R is a C6-24 alkyl group, a C6-24 aralkyl group or a C6-24 alkaryl group; R* is H or a C6-24 alkyl group, a C6-24 aralkyl group or a C6-24 alkaryl group; R** is H or X; X—O representing a moiety derived from X—OH, and wherein X—OH is a compound selected from the group consisting of surfactants, fabric softeners, softener precursor ester amines, softener precursor amido amines, hair conditioners, skin conditions, saccharides and polymers. In a second aspect it relates to a method of preparing such precursors. Further the invention relates to compositions, comprising the precursor of the invention.

The deliberate release of odorants or aroma substances is desirable in many fields of application, and in particular in the field of washing and cleaning agents. Said deliberate release is achieved by using an odorant composition that comprises an odorant precursor, which is an allyl ether of the formula (I), R1R2C═CR3—CR4R5—O—CHR6R7, in which the residues R1, R2, R3, R4, R5, R6 and R7 mutually independently denote H or a hydrocarbon residue that can be acyclic or cyclic, substituted or unsubstituted, branched or unbranched, as well as saturated or unsaturated. Thus, in particular odorants in the form of an alkene having an allylic hydrogen atom, such as α-pinene, can be released in a deliberate manner.

The invention relates to compositions and methods of treatment employing compositions comprising polyelectrolyte complexes. The compositions include a water-soluble first polyelectrolyte bearing a net cationic charge or capable of developing a net cationic charge and a water-soluble second polyelectrolyte bearing a net anionic charge or capable of developing a net anionic charge. The total polyelectrolyte concentration of the first solution is at least 110 millimolar. The composition is free of coacervates, precipitates, latex particles, synthetic block copolymers, silicone copolymers, cross-linked poly(acrylic) and cross-linked water-soluble polyelectrolyte. The composition may be a concentrate, to be diluted prior to use to treat a surface.

This invention relates to novel precursors suitable for 18F radiolabeling of glutamate derivatives, methods for preparing such compounds and its intermediates, compositions comprising such compounds, kits comprising such compounds or compositions and methods for 18F radiolabeling of glutamate derivatives wherein the obtained 18F radiolabeled glutamate derivatives are suitable for diagnostic imaging by Positron Emission Tomography (PET) of proliferative diseases e.g. tumor in mammals.

A polyimide demonstrates low coefficient of hygroscopic expansion and low water absorption coefficient when used as an insulation film. The polyimide is derived from a tetracarboxylic acid dianhydride containing ester group expressed by the general formula below, and a polyester imide precursor: wherein R is independent and represents a straight or branched-chain alkyl group with 1 to 6 carbon atoms or straight or branched-chain alkoxyl group with 1 to 6 carbon atoms, n is an integer of 0 to 4, and m is an integer of 2 to 4, but wherein, if m =2, n is an integer of 1 to 4.

A method of color laser marking an article having a polymeric foil with at least one colorless layer containing an infrared absorber, a polymeric binder and a color forming compound; including the steps of:—laser marking the colorless layer with an infrared laser using a first laser operation mode to generate a blue or cyan color; and—laser marking the same colorless layer with an infrared laser using a second laser operation mode to generate a black color, wherein the first laser operation mode applies less energy to the colorless layer than the second laser operation mode. Also disclosed is an article, such as a security document, including a polymeric foil and a colorless layer containing laser marked graphical data having a blue or cyan color and laser marked information having a black color.

A method for preparing a metal sulfide thin film using ALD and structures incorporating the metal sulfide thin film. The method includes providing an ALD reactor, a substrate, a first precursor comprising a metal and a second precursor comprising a sulfur compound. The first and the second precursors are reacted in the ALD precursor to form a metal sulfide thin film on the substrate. In a particular embodiment, the metal compound comprises Bis(N,N'-di-sec-butylacetamidinato)dicopper(I) and the sulfur compound comprises hydrogen sulfide (H2S) to prepare a Cu2S film. The resulting metal sulfide thin film may be used in among other devices, photovoltaic devices, including interdigitated photovoltaic devices that may use relatively abundant materials for electrical energy production.

Methods and compositions for the deposition of a film on a substrate. In general, the disclosed compositions and methods utilize a precursor containing calcium or strontium.

Volatile liquid precursors are provided for use in the formation of alkali metal-containing materials. The compound includes an alkali metal and an amide ligand and is a liquid at a temperature of less than about 70° C.

Barium, strontium, tantalum and lanthanum precursor compositions useful for atomic layer deposition (ALD) and chemical vapor deposition (CVD) of titanate thin films. The precursors have the formula M(Cp)2, wherein M is strontium, barium, tantalum or lanthanum, and Cp is cyclopentadienyl, of the formula (I), wherein each of R1-R5 is the same as or different from one another, with each being independently selected from among hydrogen, C1-C12 alkyl, C1-C12 amino, C6-C10 aryl, C1-C12 alkoxy, C3-C6 alkylsilyl, C2-C12 alkenyl, R1R2R3NNR3, wherein R1, R2 and R3 may be the same as or different from one another and each is independently selected from hydrogen and C1-C6 alkyl, and pendant ligands including functional group(s) providing further coordination to the metal center M. The precursors of the above formula are useful to achieve uniform coating of high dielectric constant materials in the manufacture of flash memory and other microelectronic devices.

Barium, strontium, tantalum and lanthanum precursor compositions useful for atomic layer deposition (ALD) and chemical vapor deposition (CVD) of titanate thin films. The precursors have the formula M(Cp)2, wherein M is strontium, barium, tantalum or lanthanum, and Cp is cyclopentadienyl, of the formula wherein each of R1-R5 is the same as or different from one another, with each being independently selected from among hydrogen, C1-C12 alkyl, C1-C12 amino, C6-C10 aryl, C1-C12 alkoxy, C3-C6 alkylsilyl, C2-C12 alkenyl, R1R2R3NNR3, wherein R1, R2 and R3 may be the same as or different from one another and each is independently selected from hydrogen and C1-C6 alkyl, and pendant ligands including functional group(s) providing further coordination to the metal center M. The precursors of the above formula are useful to achieve uniform coating of high dielectric constant materials in the manufacture of flash memory and other microelectronic devices.

A method of depositing a crystalline strontium titanate film on a substrate is provided, comprising carrying out an atomic layer deposition (ALD) process with strontium and titanium precursors, wherein the strontium precursor is bis(n-propyltetramethylcyclopentadienyl)strontium.

Barium, strontium, tantalum and lanthanum precursor compositions useful for atomic layer deposition (ALD) and chemical vapor deposition (CVD) of titanate thin films. The precursors have the formula M(Cp)2, wherein M is strontium, barium, tantalum or lanthanum, and Cp is cyclopentadienyl, of the formula wherein each of R1-R5 is the same as or different from one another, with each being independently selected from among hydrogen, C1-C12 alkyl, C1-C12 amino, C6-C10 aryl, C1-C12 alkoxy, C3-C6 alkylsilyl, C2-C12 alkenyl, R1R2R3NNR3, wherein R1, R2 and R3 may be the same as or different from one another and each is independently selected from hydrogen and C1-C6 alkyl, and pendant ligands including functional group(s) providing further coordination to the metal center M. The precursors of the above formula are useful to achieve uniform coating of high dielectric constant materials in the manufacture of flash memory and other microelectronic devices.

Disclosed are metal-containing precursors having the formula Compound (I) wherein: —M is a metal selected from Ni, Co, Mn, Pd; and —each of R-1, R2, R3, R4, R5, R6, R7, R8, R9, and R10 are independently selected from H; a C1-C4 linear, branched, or cyclic alkyl group; a C1-C4 linear, branched, or cyclic alkylsilyl group (mono, bis, or tris alkyl); a C1-C4 linear, branched, or cyclic alkylamino group; or a C1-C4 linear, branched, or cyclic fluoroalkyl group. Also disclosed are methods of synthesizing and using the disclosed metal-containing precursors to deposit metal-containing films on a substrate via a vapor deposition process.

A laser-engraveable flexographic printing precursor or patternable element comprises a laser-engraveable layer having two orthogonal dimensions. This laser-engraveable layer comprises one or more elastomeric resins and non-metallic fibers that are oriented in the laser-engraveable layer predominantly in one of its two orthogonal dimensions. The non-metallic fibers have an average length of at least 0.1 mm and an average diameter of at least 1 μm. The oriented non-metallic fibers reduce curl and shrinkage in the precursor and improve print quality and press life.

A positive-working lithographic printing plate precursor which comprises on a support having a hydrophilic surface or which is provided with a hydrophilic layer, a heat and/or light-sensitive coating comprising an infrared adsorbing agent and a binder including a monomeric unit including a salicylic acid group and a monomeric unit including a sulfonamide group.

There is provided a lithographic printing plate precursor that enables image recording using a laser and that provides an excellent scumming resistance and an excellent developability while maintaining a satisfactory printing durability. Also provided are a platemaking method, and a novel polymerizable monomer. A lithographic printing plate precursor has a support, and an image recording layer disposed thereon and containing a radical polymerization initiator and a polymerizable monomer that has a sulfonamide group and at least two ethylenically unsaturated groups; a lithographic printing plate platemaking method uses this lithographic printing plate precursor; and a polymerizable monomer has a sulfonamide group and at least two ethylenically unsaturated groups.

The invention pertains to a method and apparatus for preparing a printing form from a precursor, particularly a method and apparatus for preparing the printing form by thermally treating a photosensitive precursor having a photopolymerizable layer. The method and apparatus includes heating the photosensitive precursor to a temperature sufficient to cause a portion of the layer to liquefy, contacting the precursor with a development medium to remove the liquefied material, and supporting a development medium with a core member adjacent an exterior surface of the photosensitive precursor, wherein a compressible collar of a closed-cell foam having a Poisson's ratio of less than 0.4 is disposed between the core member and the development medium.

The invention provides an infrared-sensitive positive-working image forming material which provides excellent development latitude, image formability and image region strength, and in which decrease in development property is prevented even when a certain time has passed after pattern exposure until development treatment; an infrared-sensitive positive-working planographic printing plate precursor which is formed from the image forming material and has excellent image formability and image region printing durability; and a method for manufacturing a planographic printing plate using the planographic printing plate precursor. The image forming material includes; on a support, a lower layer containing a polymer having carboxylic acid groups at side chains thereof, at least a part of the carboxylic acid groups forming a salt structure with a monovalent basic compound, and an infrared absorbing agent; and an upper layer whose solubility to aqueous alkaline solution is increased by heat, in this order.

A method of making metal nanoparticles and carbon nanotubes is disclosed. A mixture of a transition metal compound and an aromatic polymer, a precursor of an aromatic polymer, or an aromatic monomer is heated to form a metal nanoparticle composition, optionally containing carbon nanotubes.

A pressure steam treatment apparatus according to the invention includes a pressure steam treatment chamber and labyrinth sealing chambers. The labyrinth sealing chambers are respectively arranged on a fiber bundle inlet and on a fiber bundle outlet of the steam treatment apparatus, having a running path of the fiber bundle in a horizontal direction and having plural labyrinth nozzles on top and bottom of the running path. The difference between a maximum value and a minimum value of the distance in the perpendicular direction of the top and bottom side labyrinth nozzles, of a pair of opposing labyrinth nozzles is 0.5 mm or smaller when the ambient temperature of the labyrinth sealing chamber is 140° C. This structure ensures that the energy cost can be reduced, the deformation of the apparatus and also, the raise of fuzz on the fiber bundle and fiber bundle breakage can be prevented at the same time.

In bottom-up, label-free discovery proteomics, biological samples are acquired in a data-dependent (DDA) or data-independent (DIA) manner, with peptide signals recorded in an intact (MS1) and fragmented (MS2) form. While DDA has only the MS1 space for quantification, DIA contains both MS1 and MS2 at high quantitative quality. DIA profiles of complex biological matrices such as tissues or cells can contain quantitative interferences, and the interferences at the MS1 and the MS2 signals are often independent. When comparing biological conditions, the interferences can compromise the detection of differential peptide or protein abundance and lead to false positive or false negative conclusions.

We hypothesized that the combined use of MS1 and MS2 quantitative signals could improve our ability to detect differentially abundant proteins. Therefore, we developed a statistical procedure incorporating both MS1 and MS2 quantitative information of DIA. We benchmarked the performance of the MS1-MS2-combined method to the individual use of MS1 or MS2 in DIA using four previously published controlled mixtures, as well as in two previously unpublished controlled mixtures. In the majority of the comparisons, the combined method outperformed the individual use of MS1 or MS2. This was particularly true for comparisons with low fold changes, few replicates, and situations where MS1 and MS2 were of similar quality. When applied to a previously unpublished investigation of lung cancer, the MS1-MS2-combined method increased the coverage of known activated pathways.

Since recent technological developments continue to increase the quality of MS1 signals (e.g. using the BoxCar scan mode for Orbitrap instruments), the combination of the MS1 and MS2 information has a high potential for future statistical analysis of DIA data.